<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">295073</id>
  <title nil="true"/>
  <common-name>2-[2-(4-chlorophenyl)-3h-benzimidazol-5-yl]acetic acid</common-name>
  <description>2-[2-(4-chlorophenyl)-3h-benzimidazol-5-yl]acetic acid belongs to the phenylbenzimidazoles, a subclass of benzimidazoles within the organic compounds. This organoheterocyclic compound has the chemical formula C15H11ClN2O2 and an average molecular weight of 286.71 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>3046662</pubchem-id>
  <chemical-formula>C15H11ClN2O2</chemical-formula>
  <weight>286.71</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">2026-08-28T10:58:28Z</created-at>
  <updated-at type="dateTime">2026-08-28T10:58:28Z</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>C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)CC(=O)O)Cl</moldb-smiles>
  <moldb-formula>C15H11ClN2O2</moldb-formula>
  <moldb-inchi>InChI=1S/C15H11ClN2O2/c16-11-4-2-10(3-5-11)15-17-12-6-1-9(8-14(19)20)7-13(12)18-15/h1-7H,8H2,(H,17,18)(H,19,20)</moldb-inchi>
  <moldb-inchikey>XXNSJWAXRNYHGW-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">286.0509053</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.3</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>CHEM290966</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-[2-(4-chlorophenyl)-3h-benzimidazol-5-yl]acetic 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>Phenylbenzimidazoles</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0246531</sync-id>
  <structure-inchikey>XXNSJWAXRNYHGW-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000100000000000000080000000080000000000000000000000200040001000000042004000000000000000000000000000000000000000000400000000000000000000020000000000000000000000000000000000000010080000000000000100000800020000000000040000000000000000000000000020000004000200000000000800000000000000002000000000000000000000000000000000000080000000000000000020000000000000000000000000000000000000040000000000000000010002004000000404220000000000000080200000001000040000000000400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAUAAAAFgAAAIABBkBoAAAAAwMBBkBoAAAA
AwMBBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQCgAAAADBAZAKAAAAAME
B0AoAAAAAwMGQCgAAAADBAZAKAAAAAMEB0A4AAAAAwEDBkBoAAAAAwMBBkAo
AAAAAwQGQGgAAAADAwEGQGgAAAADAwEGAGAAAAACAgYAKAAAAAMECAAoAAAA
AwIIAGgAAAADAQERACAAAAABCwABaAwBAmgMAgNoDAMEaAwEBWgMBQYgBgdo
DAcIaAwICWgMCQpoDAkLaAwLDGgMDA1oDA0OaAwMDwAPEAAQESgCEBIgAhMA
BQBoDAoGaAwOCGgMQgMAAAAGAAUEAwIBBQcGCgkIBgsMDQ4ICRcEAAAAAAAA
ABY=
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:06:31Z</structure-indexed-at>
</compound>
