334450 <common-name>2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1h-benzimidazole</common-name> <description>2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1h-benzimidazole is a compound with the chemical formula C23H18ClN5OS. It has an average molecular weight of 447.90 g/mol.</description> <cas>618880-66-3</cas> <pubchem-id>1891007</pubchem-id> <chemical-formula>C23H18ClN5OS</chemical-formula> <weight>447.9</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">2026-08-30T16:09:25Z</created-at> <updated-at type="dateTime">2026-08-30T16:09:25Z</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>COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC4=NC5=CC=CC=C5N4</moldb-smiles> <moldb-formula>C23H18ClN5OS</moldb-formula> <moldb-inchi>InChI=1S/C23H18ClN5OS/c1-30-18-12-6-15(7-13-18)22-27-28-23(29(22)17-10-8-16(24)9-11-17)31-14-21-25-19-4-2-3-5-20(19)26-21/h2-13H,14H2,1H3,(H,25,26)</moldb-inchi> <moldb-inchikey>AYRUBVQHDVFYRE-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">447.0920591</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.3</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>CHEM330343</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>2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1h-benzimidazole</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>Azoles</klass> <subklass>Triazoles</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0284927</sync-id> <structure-inchikey>AYRUBVQHDVFYRE-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200000900000000900000000004000000000000080004000000000020040000000200005008000002000000000000000000000000000200000000001000000400000000000000000000000000000000100200200000010002000040000000080010040000000000000800000000100000000000000000000000000000040020000804000200000000000880000010100000000000000000000100000000000000000000000080000000000000000400000000000000c00000080000000000000000000000000000000000010000000022000004200000001000000000040000001000040000000000000000000000000000040000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAfAAAAIwAAAIABBgBgAAAAAQMIACgAAAAD AgZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQGQGgAAAADAwEG QGgAAAADAwEGQCgAAAADBAdAKAAAAAMDB0AoAAAAAwMGQCgAAAADBAdAKAAA AAMDBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQCgAAAADBAZAaAAAAAMD AQZAaAAAAAMDAREAIAAAAAEQACAAAAACBgBgAAAAAgIGQCgAAAADBAdAKAAA AAMDBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEGQGgAAAAD AwEGQCgAAAADBAdAOAAAAAMBAwsAAQABAiACA2gMAwRoDAQFaAwFBmgMBgdo DAUIIAgJaAwJCmgMCgtoDAsMaAwMDSANDmgMDg9oDA8QaAwQEWgMERJoDBAT AAsUABQVABUWABYXaAwXGGgMGBloDBkaaAwaG2gMGxxoDBwdaAwdHmgMBwJo DAwIaAwSDWgMHhZoDB0YaAxCBQAAAAYCBwYFBAMFCQgMCwoGDg8QERINBRcW Hh0YBhkaGxwdGBcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:36:18Z</structure-indexed-at> </compound>