322141 <common-name>3-[4-[(6-chloro-1,3-dimethylbenzimidazol-3-ium-4-yl)diazenyl]-n-ethylanilino]propanenitrile</common-name> <description>3-[4-[(6-chloro-1,3-dimethylbenzimidazol-3-ium-4-yl)diazenyl]-n-ethylanilino]propanenitrile is a compound with the formula C20H22ClN6+. It has an average molecular weight of 381.90 g/mol.</description> <cas nil="true"/> <pubchem-id>161818</pubchem-id> <chemical-formula>C20H22ClN6+</chemical-formula> <weight>381.9</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-29T22:01:33Z</created-at> <updated-at type="dateTime">2026-08-29T22:01:33Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CCN(CCC#N)C1=CC=C(C=C1)N=NC2=C3C(=CC(=C2)Cl)N(C=[N+]3C)C</moldb-smiles> <moldb-formula>C20H22ClN6+</moldb-formula> <moldb-inchi>InChI=1S/C20H22ClN6/c1-4-27(11-5-10-22)17-8-6-16(7-9-17)23-24-18-12-15(21)13-19-20(18)26(3)14-25(19)2/h6-9,12-14H,4-5,11H2,1-3H3/q+1</moldb-inchi> <moldb-inchikey>WAEKPQDTEDJTKC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">381.1594474</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.2</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM318034</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>3-[4-[(6-chloro-1,3-dimethylbenzimidazol-3-ium-4-yl)diazenyl]-n-ethylanilino]propanenitrile</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Benzimidazoles</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0272851</sync-id> <structure-inchikey>WAEKPQDTEDJTKC-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000080400000000804000000000000000000000080000200080002008000000000002000000000000000000000002000014000000000001000000000000000000000000400000000000000000000000000060010000000004000000000000000200000400000000000000104000000000021900000080000000000000000000000040000400408000000000004000000000000000000000000000000000000000000000001000000000088000004000000000000000100001000000000000000000000104000000000000000000000091000000000000001200000000000000080000000002000040000000000000400001000000000000000000200000</structure-fingerprint> 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