295530 <common-name>5-cyclopenta-2,4-dien-1-ylidene-7-iodo-1-methyl-3,4-dihydro-1,4-benzodiazepin-2-one</common-name> <description>5-cyclopenta-2,4-dien-1-ylidene-7-iodo-1-methyl-3,4-dihydro-1,4-benzodiazepin-2-one belongs to the 1,4-benzodiazepines, a subclass of benzodiazepines within the organic compounds. It is categorized as an organoheterocyclic compound with the formula C15H13IN2O and an average molecular weight of 364.18 g/mol.</description> <cas nil="true"/> <pubchem-id>3042981</pubchem-id> <chemical-formula>C15H13IN2O</chemical-formula> <weight>364.18</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">2026-08-28T11:31:36Z</created-at> <updated-at type="dateTime">2026-08-28T11:31:36Z</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>CN1C(=O)CNC(=C2C=CC=C2)C3=C1C=CC(=C3)I</moldb-smiles> <moldb-formula>C15H13IN2O</moldb-formula> <moldb-inchi>InChI=1S/C15H13IN2O/c1-18-13-7-6-11(16)8-12(13)15(17-9-14(18)19)10-4-2-3-5-10/h2-8,17H,9H2,1H3</moldb-inchi> <moldb-inchikey>RVWYQAKZBIULMY-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">364.00726</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.1</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>CHEM291423</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-cyclopenta-2,4-dien-1-ylidene-7-iodo-1-methyl-3,4-dihydro-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>CED0246968</sync-id> <structure-inchikey>RVWYQAKZBIULMY-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000008000000000000000000000000000000000000000000000003000000000000000000000000020040000000400000000000000000000000042000000000000000200100000000000020100100000000010000000000000000040002000000000200010006000000000000004000000000000000000000100000100000000000000081000000000000000000001000002000000000000000000000000200008000000000000000000040000000000010200000000000000000040000000002040000000001100000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������(�������(�������(�������`�������h��������(�������(�������h��������h��������h��������h�������@(������@(������@h�������@h�������@(������@h������5� ���������� ��(��������� ��(��� � (� �(��� � h� �h���h���h���h���� � �� ��h�B����������� ���� ������ ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:07:01Z</structure-indexed-at> </compound>