316344 <common-name>Methyl 2-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]benzoate</common-name> <description>Methyl 2-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]benzoate is a chemical compound with the formula C19H17N5O5. It has an average molecular weight of 395.40 g/mol.</description> <cas>71317-07-2</cas> <pubchem-id>116762</pubchem-id> <chemical-formula>C19H17N5O5</chemical-formula> <weight>395.4</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">2026-08-29T14:06:18Z</created-at> <updated-at type="dateTime">2026-08-29T14:06:18Z</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>CC(=O)C(C(=O)NC1=CC2=C(C=C1)NC(=O)N2)N=NC3=CC=CC=C3C(=O)OC</moldb-smiles> <moldb-formula>C19H17N5O5</moldb-formula> <moldb-inchi>InChI=1S/C19H17N5O5/c1-10(25)16(24-23-13-6-4-3-5-12(13)18(27)29-2)17(26)20-11-7-8-14-15(9-11)22-19(28)21-14/h3-9,16H,1-2H3,(H,20,26)(H2,21,22,28)</moldb-inchi> <moldb-inchikey>DVGMJOMUBTVRAO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">395.1229687</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>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>CHEM312237</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>Methyl 2-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]benzoate</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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Benzoic acids and derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0267183</sync-id> <structure-inchikey>DVGMJOMUBTVRAO-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40002000000000000000000000000100024040000000008100000000000000000000000000000020000000000000000020001000000000000000000000000000000000000000000400000000000000000020000000000100000004000000000080000000010000200050000000100000002004001080000000000000000000c00000000040000000800000200000000080000000000100000000000000000000000000002000000000000000280000000000000001000000000000000000000000000000000000000000000140000000800000000200000010004200000000000000008000000000000040800000000400401000000000000100080000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������(�������(�������`�������(�������(�������h�������@(������@h�������@(������@(������@h�������@h�������@8�������@(�������(������@8��������(�������(������@(������@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">2026-09-19T05:22:26Z</structure-indexed-at> </compound>