3-(4-methyl-1h-imidazol-1-yl)-5-(trifluoromethyl)aniline

1-(3-Amino-5-trifluoromethylphenyl)-4-methylimidazole
3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzenamine
3-(4-Methyl-1H-imidazol-1-yl)-5-trifluoromethylaniline
3-(4-Methylimidazol-1-yl)-5-trifluoromethylphenylamine
5-(4-Methyl-1H-imidazol-1-yl)-3-(trifluoromethyl)benzenamine
5-(4-Methyl-1H-imidazol-1-yl)-3-(trifluoromethyl)benzeneamine
Benzenamine, 3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	WWTGXYAJVXKEKL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C11H10F3N3/c1-7-5-17(6-16-7)10-3-8(11(12,13)14)2-9(15)4-10/h2-6H,15H2,1H3
IUPAC name chemrof:IUPAC_name	3-(4-methyl-1h-imidazol-1-yl)-5-(trifluoromethyl)aniline
Molecular formula chemrof:molecular_formula	C11H10F3N3
Molecular mass chemrof:molecular_mass	241.216
Monoisotopic mass chemrof:monoisotopic_mass	241.082682
SMILES string chemrof:smiles_string	Cc1cn(-c2cc(N)cc(C(F)(F)F)c2)cn1

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=641571-11-1	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.214.742	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID10475604	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL5080162	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5LLI0Q7APP	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.048.821K	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/12002825	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q72491651	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
c5a9098e-d8ef-4fbb-b1d8-7dfda34de1eb	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
f9fa76ac-1c5e-430f-87ff-b0d5e80d7c56	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
bc436e14-00ac-4a2f-a48f-56af7bb54859	Environmental → Air → Indoor	EF 3.1	kg	2
6ce3d225-862f-40d4-ac31-946733cab796	Environmental → Air → Long-term	EF 3.1	kg	0
8a9efc53-80fe-49f2-b955-3cfa913df8c9	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
75b5ec0c-e07e-42d1-94ae-3c97e274e405	Environmental → Air → Unknown	EF 3.1	kg	2
fea06309-81bf-4d55-a8cf-0f70a88a15dd	Environmental → Ground → Agricultural	EF 3.1	kg	2
130ae03b-adba-4b4d-a67c-f88520f02d41	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
6a0b7823-26ce-4ce7-b91d-597e6027e0e5	Environmental → Ground → Unknown	EF 3.1	kg	2
eec18947-1e05-4132-9469-88fdee44a6b5	Environmental → Water → Long-term	EF 3.1	kg	0
f0bcbaa0-57ce-4a5a-b65a-ae7f0292c992	Environmental → Water → Ocean	EF 3.1	kg	2
45a81e48-8c17-49f7-9bc4-9cb788ac6581	Environmental → Water → Surface water	EF 3.1	kg	2
d91da607-9e57-476b-bba2-1962eb94106e	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-509e5a9b8e4adfee",
  "prefLabel": [
    {
      "@value": "3-(4-methyl-1h-imidazol-1-yl)-5-(trifluoromethyl)aniline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-(3-Amino-5-trifluoromethylphenyl)-4-methylimidazole",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:641571-11-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=641571-11-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzenamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:641571-11-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=641571-11-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-(4-Methyl-1H-imidazol-1-yl)-5-trifluoromethylaniline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:641571-11-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=641571-11-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-(4-Methylimidazol-1-yl)-5-trifluoromethylphenylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:641571-11-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=641571-11-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5-(4-Methyl-1H-imidazol-1-yl)-3-(trifluoromethyl)benzenamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:641571-11-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=641571-11-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5-(4-Methyl-1H-imidazol-1-yl)-3-(trifluoromethyl)benzeneamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:641571-11-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=641571-11-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenamine, 3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:641571-11-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=641571-11-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C11H10F3N3"
      ],
      "attested_by": {
        "C11H10F3N3": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:12002825"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1cn(-c2cc(N)cc(C(F)(F)F)c2)cn1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "WWTGXYAJVXKEKL-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "WWTGXYAJVXKEKL-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:12002825"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1cn(-c2cc(N)cc(C(F)(F)F)c2)cn1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "Cc1cn(-c2cc(N)cc(C(F)(F)F)c2)cn1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "3-(4-methyl-1h-imidazol-1-yl)-5-(trifluoromethyl)aniline"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1cn(-c2cc(N)cc(C(F)(F)F)c2)cn1"
          ]
        }
      ],
      "attested_by": {
        "Cc1cn(-c2cc(N)cc(C(F)(F)F)c2)cn1": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C11H10F3N3/c1-7-5-17(6-16-7)10-3-8(11(12,13)14)2-9(15)4-10/h2-6H,15H2,1H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "3-(4-methyl-1h-imidazol-1-yl)-5-(trifluoromethyl)aniline"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1cn(-c2cc(N)cc(C(F)(F)F)c2)cn1"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C11H10F3N3/c1-7-5-17(6-16-7)10-3-8(11(12,13)14)2-9(15)4-10/h2-6H,15H2,1H3": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "3-(4-methyl-1h-imidazol-1-yl)-5-(trifluoromethyl)aniline"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "3-(4-methyl-1h-imidazol-1-yl)-5-(trifluoromethyl)aniline"
        ]
      },
      "attested_by": {
        "3-(4-methyl-1h-imidazol-1-yl)-5-(trifluoromethyl)aniline": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        241.216
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC1=CN(C=N1)C2=CC(=CC(=C2)N)C(F)(F)F"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1cn(-c2cc(N)cc(C(F)(F)F)c2)cn1"
          ]
        }
      ],
      "attested_by": {
        "241.216": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        241.082682
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC1=CN(C=N1)C2=CC(=CC(=C2)N)C(F)(F)F"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1cn(-c2cc(N)cc(C(F)(F)F)c2)cn1"
          ]
        }
      ],
      "attested_by": {
        "241.082682": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.048.821K",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12002825;CAS:641571-11-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[641571-11-1]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.214.742",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12002825;CAS:641571-11-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[641571-11-1]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=641571-11-1",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12002825;CAS:641571-11-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[641571-11-1]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID10475604",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12002825;CAS:641571-11-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[641571-11-1]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5LLI0Q7APP",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12002825;CAS:641571-11-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[641571-11-1]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/12002825",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12002825;CAS:641571-11-1"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[641571-11-1]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL5080162",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12002825;CAS:641571-11-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[641571-11-1]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q72491651",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:12002825;CAS:641571-11-1"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[641571-11-1]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "130ae03b-adba-4b4d-a67c-f88520f02d41",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "641571-11-1"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=641571-11-1"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=641571-11-1"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "688-269-6"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=688-269-6"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

3-(4-methyl-1h-imidazol-1-yl)-5-(trifluoromethyl)aniline

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

Something wrong here?

Keyboard