306243 <common-name>1-[2-(4-chlorophenyl)ethyl]-2-methyl-7-sulfamoylbenzimidazole-5-carboxylic acid</common-name> <description>1-[2-(4-chlorophenyl)ethyl]-2-methyl-7-sulfamoylbenzimidazole-5-carboxylic acid belongs to the benzimidazoles, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C17H16ClN3O4S and an average molecular weight of 393.80 g/mol.</description> <cas>72020-27-0</cas> <pubchem-id>3055099</pubchem-id> <chemical-formula>C17H16ClN3O4S</chemical-formula> <weight>393.8</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">2026-08-29T00:01:09Z</created-at> <updated-at type="dateTime">2026-08-29T00:01:09Z</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>CC1=NC2=C(N1CCC3=CC=C(C=C3)Cl)C(=CC(=C2)C(=O)O)S(=O)(=O)N</moldb-smiles> <moldb-formula>C17H16ClN3O4S</moldb-formula> <moldb-inchi>InChI=1S/C17H16ClN3O4S/c1-10-20-14-8-12(17(22)23)9-15(26(19,24)25)16(14)21(10)7-6-11-2-4-13(18)5-3-11/h2-5,8-9H,6-7H2,1H3,(H,22,23)(H2,19,24,25)</moldb-inchi> <moldb-inchikey>DJIRWPYDEBUQFW-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">393.0550049</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.4</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>CHEM302136</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>1-[2-(4-chlorophenyl)ethyl]-2-methyl-7-sulfamoylbenzimidazole-5-carboxylic acid</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>CED0257308</sync-id> <structure-inchikey>DJIRWPYDEBUQFW-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>880000000000000100000000000000000080000000000000000000000200000000022000002004800000000000000080000004000000000000000000400000000000000000000020000000001000000000000000000000000000210080004000000000100000000004000100004000000000000040000000040040020000004000000000204000001000000000000000001000000000040000000000000000000000084000000000000080000000080000000001000000000000000000000100000000000001000010000000002000000220020000000200000000000001000040000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>511440008113864485000f64a128e002101014008505208020352040822009cc44a2281413c000001100410804c00000046002a4408c32010026647901a04000c7110c0812d004910090106012f203880804859153211f3240040562502259060c380527004802016040a410ddb40200208680708125e0041118386002510002124c01084efc82080c060250ce2c0008391c88124c401e821226182220c040a4c0d31892009cc00002000968017c27100ac800028941084018a042102cc04232a00012a44498123305810480541512800c410010430050200d400a040800030090104c100889220000000411d1122180001004309042040e5108100072100002</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�B����������� �� ������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:14:49Z</structure-indexed-at> </compound>