5-nitro-1,3-dihydro-2h-benzimidazol-2-one

1,3-Dihydro-5-nitro-2H-benzimidazol-2-one
2-Benzimidazolinone, 5-nitro-
2-Hydroxy-5-nitrobenzimidazole
2H-Benzimidazol-2-one, 1,3-dihydro-5-nitro-
5-Nitro-1,3-dihydro-2H-benzo[d]imidazol-2-one
5-Nitro-1,3-dihydrobenzimidazol-2-one
5-Nitro-1H-benzo[d]imidazol-2(3H)-one
5-Nitro-2-benzimidazolinone
5-Nitrobenzimidazol-2-one
5-Nitrobenzo[d]imidazol-2(3H)-one

Property	Value
InChI2D key string chemrof:inchi2d_key_string	DLJZIPVEVJOKHB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C7H5N3O3/c11-7-8-5-2-1-4(10(12)13)3-6(5)9-7/h1-3H,(H2,8,9,11)
IUPAC name chemrof:IUPAC_name	5-nitro-1,3-dihydro-2h-benzimidazol-2-one
Molecular formula chemrof:molecular_formula	C7H5N3O3
Molecular mass chemrof:molecular_mass	179.135
Monoisotopic mass chemrof:monoisotopic_mass	179.033091
SMILES string chemrof:smiles_string	O=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1

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=93-84-5	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.002.076	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID9059092	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=10380	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2022013	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/VF94AM247W	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J26.615I	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/3725611	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=020317	enrich_references.pubchem_identifier_url
Wikidata	https://www.wikidata.org/wiki/Q72494626	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
a74d9575-4fd5-45ce-a850-486478504d12	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
58557196-32c0-4f2a-b415-0cd29f6b93a4	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
91325618-97e7-4912-b725-54b1f5bbbe33	Environmental → Air → Indoor	EF 3.1	kg	2
2649f9df-850c-45be-a09f-32eb258d71e0	Environmental → Air → Long-term	EF 3.1	kg	0
6bcee5a4-0d10-49d0-8296-eef2bc88ff46	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
0207e5cb-e1b9-414d-b2bd-dcec7f1040b0	Environmental → Air → Unknown	EF 3.1	kg	2
100597a2-c8ac-46ea-a39c-77c165a207fd	Environmental → Ground → Agricultural	EF 3.1	kg	2
5d05dac3-8c23-48f1-9dd6-bd1cb7b1cea4	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
0ffc0b95-6242-49a6-b395-92c3c972aa54	Environmental → Ground → Unknown	EF 3.1	kg	2
91500293-49a0-48ee-adaa-40f603c4b32c	Environmental → Water → Long-term	EF 3.1	kg	0
b51029db-32f1-45f6-9d36-f6942ed967d5	Environmental → Water → Ocean	EF 3.1	kg	2
a564fef9-2d20-4fbf-8f06-6dec3d7b6eb1	Environmental → Water → Surface water	EF 3.1	kg	2
313314c6-0453-45bb-8721-69d400b43234	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

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        "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": [
        "202-282-2"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=202-282-2"
      ],
      "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

5-nitro-1,3-dihydro-2h-benzimidazol-2-one

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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