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1-benzyl-1H-imidazole

fo-3dd715eac60bbb64

Identity

Type
Neutral molecule
CAS
4238-71-5
EC
224-200-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
63 across every transformer

Structure

Structure diagram for 1-benzyl-1H-imidazole

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string KKKDZZRICRFGSD-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H10N2/c1-2-4-10(5-3-1)8-12-7-6-11-9-12/h1-7,9H,8H2
IUPAC name chemrof:IUPAC_name 1-benzyl-1H-imidazole, 1-benzyl-1h-imidazole
Molecular formula chemrof:molecular_formula C10H10N2
Molecular mass chemrof:molecular_mass 158.204
Monoisotopic mass chemrof:monoisotopic_mass 158.084398
SMILES string chemrof:smiles_string c1ccc(Cn2ccnc2)cc1

Known URLs

16

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=4238-71-5 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.022.001 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID60195183 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB04581 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=126828 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=217337 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL14192 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/W4C9Z5BCV7 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0243836 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J198H enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=149021 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/9PQNSSY3QQHG enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL14192 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/77918 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=026858 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q27095323 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
e0560e24-b6e4-4248-b8ba-f2261bc1f706 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
f6ade7df-6f92-4c3e-8369-b10d041b4dd5 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
cb3b1027-5a51-49a9-93a5-6541eb91d9cf Environmental → Air → Indoor EF 3.1 kg 2
e25ea5b4-00fa-4999-b8ae-4888a3ddde08 Environmental → Air → Long-term EF 3.1 kg 0
c2cc882a-ab83-40ba-81af-fa2740c4bba8 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
7e8d5e75-8988-4d20-bdf5-83bcd1318a51 Environmental → Air → Unknown EF 3.1 kg 2
3c92537e-be89-45e4-909d-f7a6b5cf437d Environmental → Ground → Agricultural EF 3.1 kg 2
5ac1d481-057b-4772-af30-c5e6690fa97f Environmental → Ground → Non-agricultural EF 3.1 kg 2
9c17861b-a4b8-434c-8013-865cd4a5c0ee Environmental → Ground → Unknown EF 3.1 kg 2
0e75e205-4483-4a3e-bac5-d5dc5ac9476e Environmental → Water → Long-term EF 3.1 kg 0
ffd47e19-17d8-4ff5-9d60-e2a300e0c0a9 Environmental → Water → Ocean EF 3.1 kg 2
527e6435-583e-4c42-901e-ecff85242e7a Environmental → Water → Surface water EF 3.1 kg 2
cbeaaac6-d28a-4c09-baa5-71177986a7bb Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (63 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-3dd715eac60bbb64",
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    {
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "224-200-4"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=224-200-4"
      ],
      "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"
  ]
}

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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

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