321097 <common-name>7-chloro-1-methyl-3-(3-methylimidazol-3-ium-1-yl)-5-phenyl-3h-1,4-benzodiazepin-2-one</common-name> <description>7-chloro-1-methyl-3-(3-methylimidazol-3-ium-1-yl)-5-phenyl-3h-1,4-benzodiazepin-2-one is a chemical compound with the formula C20H18ClN4O+. It has an average molecular weight of 365.80 g/mol.</description> <cas nil="true"/> <pubchem-id>3040903</pubchem-id> <chemical-formula>C20H18ClN4O+</chemical-formula> <weight>365.8</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">2026-08-29T20:21:02Z</created-at> <updated-at type="dateTime">2026-08-29T20:21:02Z</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)C(=NC(C1=O)N3C=C[N+](=C3)C)C4=CC=CC=C4</moldb-smiles> <moldb-formula>C20H18ClN4O+</moldb-formula> <moldb-inchi>InChI=1S/C20H18ClN4O/c1-23-10-11-25(13-23)19-20(26)24(2)17-9-8-15(21)12-16(17)18(22-19)14-6-4-3-5-7-14/h3-13,19H,1-2H3/q+1</moldb-inchi> <moldb-inchikey>LXLDXUBNQAEFEG-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">365.1169139</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.9</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>CHEM316990</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>7-chloro-1-methyl-3-(3-methylimidazol-3-ium-1-yl)-5-phenyl-3h-1,4-benzodiazepin-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>Benzodiazepines</klass> <subklass>1,4-benzodiazepines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0271820</sync-id> <structure-inchikey>LXLDXUBNQAEFEG-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4400000000000000000000000200200000000000400000000000080000000000000800000000020020000008000002004000000000000000001000000000000000000000000400000000000000000000020008040001000000008008000000000000000000081000010000000100000000000000100000000000010001000100000040040000200820400000000004000800000000100000000000000000000000100000000000800000000080000000000000000000011100000000000000000000000100000008000000000000000000010000000000000000200000000000000000000000000000040000000001000000000000000000200000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������(������@(������@(������@h�������@(������@h�������@h�������� ������(�������(�������`�������(�������(������@(������@h�������@h�������`*�������@h��������`������@(������@h�������@h�������@h�������@h�������@h������������ ��h���h���h���h���h����� (� ������ (������h���h���h���h���� � ��h���h���h���h���h��� ��h���h���h�B�������� ��������������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:26:02Z</structure-indexed-at> </compound>