316776 <common-name>3-[5-chloro-2-[(4-methylphenyl)methyl]benzimidazol-1-yl]butanoic acid</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>3072206</pubchem-id> <chemical-formula>C19H19ClN2O2</chemical-formula> <weight>342.8</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">2026-08-29T14:35:54Z</created-at> <updated-at type="dateTime">2026-08-29T14:35:54Z</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=CC=C(C=C1)CC2=NC3=C(N2C(C)CC(=O)O)C=CC(=C3)Cl</moldb-smiles> <moldb-formula>C19H19ClN2O2</moldb-formula> <moldb-inchi>InChI=1S/C19H19ClN2O2/c1-12-3-5-14(6-4-12)10-18-21-16-11-15(20)7-8-17(16)22(18)13(2)9-19(23)24/h3-8,11,13H,9-10H2,1-2H3,(H,23,24)</moldb-inchi> <moldb-inchikey>GGFDXYZTXQPHDY-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">342.1135055</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.2</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>CHEM312669</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>3-[5-chloro-2-[(4-methylphenyl)methyl]benzimidazol-1-yl]butanoic 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>CED0267608</sync-id> <structure-inchikey>GGFDXYZTXQPHDY-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000400000000800000000000000000000400000000000080001000400000001000000202000000000000002004000000000000004000000000000000100000000000400000000000000000000020000000000000000000000000000000000000010080800000000200100000000002000100000000000000000000000000000041000000004000000000040000000000000000000000000000000000002000000000000000000000080020000000020000000000000000002000000000000000000000200000000000000000080010000000002000400220000000000000000108000001000040000000000480000000000000000000000004000000</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�B������������ ��� ����� �����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:22:46Z</structure-indexed-at> </compound>