301160 <common-name>5-chloro-3-[4-(dimethylamino)phenyl]-1-methylbenzimidazol-2-one</common-name> <description>5-chloro-3-[4-(dimethylamino)phenyl]-1-methylbenzimidazol-2-one belongs to the phenylbenzimidazoles, a subclass of benzimidazoles within the organic compounds. It is an organoheterocyclic compound with the formula C16H16ClN3O and an average molecular weight of 301.77 g/mol.</description> <cas>79759-83-4</cas> <pubchem-id>3061809</pubchem-id> <chemical-formula>C16H16ClN3O</chemical-formula> <weight>301.77</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">2026-08-28T18:07:43Z</created-at> <updated-at type="dateTime">2026-08-28T18:07:43Z</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>CN1C2=C(C=C(C=C2)Cl)N(C1=O)C3=CC=C(C=C3)N(C)C</moldb-smiles> <moldb-formula>C16H16ClN3O</moldb-formula> <moldb-inchi>InChI=1S/C16H16ClN3O/c1-18(2)12-5-7-13(8-6-12)20-15-10-11(17)4-9-14(15)19(3)16(20)21/h4-10H,1-3H3</moldb-inchi> <moldb-inchikey>HPJJIBCEFKQOTB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">301.0981898</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.6</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>CHEM297053</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>5-chloro-3-[4-(dimethylamino)phenyl]-1-methylbenzimidazol-2-one</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>Phenylbenzimidazoles</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0252411</sync-id> <structure-inchikey>HPJJIBCEFKQOTB-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>8100000000400200000000000000000000000000400000000000080004000000000000000000020000000000000000002000000000000000000000000000000000000000000480000000000000000004020000000000000000000004000000010000000000080000000000000104000000000000100000080000000000000000000000040000000008000000000004000100000000000000000000000000000000000000000000000000000180000000000000000000000000000000000000000000000000000000000000000000000000010000800000000000200000000000000000040000000000040000000000000000002000000000044000004000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAVAAAAFwAAAIABBgBgAAAAAQMHQCgAAAAD AwZAKAAAAAMEBkAoAAAAAwQGQGgAAAADAwEGQCgAAAADBAZAaAAAAAMDAQZA aAAAAAMDAREAIAAAAAEHQCgAAAADAwZAKAAAAAMECAAoAAAAAwIGQCgAAAAD BAZAaAAAAAMDAQZAaAAAAAMDAQZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMB BwAoAAAAAwMGAGAAAAABAwYAYAAAAAEDCwABAAECaAwCA2gMAwRoDAQFaAwF BmgMBgdoDAUIAAMJaAwJCmgMCgsoAgkMIAwNaAwNDmgMDg9oDA8QaAwQEWgM DxIgEhMAEhQACgFoDAcCaAwRDGgMQgMAAAAFAQIDCQoGBAUGBwIDBg0ODxAR DBcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:10:58Z</structure-indexed-at> </compound>