<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">79239</id>
  <title nil="true"/>
  <common-name>2-Phenyl-1H-imidazole-4-carboxylic acid</common-name>
  <description>2-Phenyl-1H-imidazole-4-carboxylic acid is an organic compound with the formula C10H8N2O2 and an average molecular weight of 206.20 g/mol. 2-Phenyl-1H-imidazole-4-carboxylic acid belongs to the imidazoles, a subclass of azoles within the organic compounds. Within the broader classification of organoheterocyclic compounds, this substance acts on two recorded protein targets. Specifically, it serves as an inhibitor of Beta-lactamase (ampC) and Beta-lactamase (blaZ).</description>
  <cas>1052410-02-2</cas>
  <pubchem-id>2738138</pubchem-id>
  <chemical-formula>C10H8N2O2</chemical-formula>
  <weight nil="true"/>
  <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">2026-04-04T13:56:57Z</created-at>
  <updated-at type="dateTime">2026-05-14T18:47:10Z</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>DB07803</drugbank-id>
  <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>O.OC(=O)C1=CN=C(N1)C1=CC=CC=C1</moldb-smiles>
  <moldb-formula>C10H8N2O2</moldb-formula>
  <moldb-inchi>InChI=1S/C10H8N2O2.H2O/c13-10(14)8-6-11-9(12-8)7-4-2-1-3-5-7;/h1-6H,(H,11,12)(H,13,14);1H2</moldb-inchi>
  <moldb-inchikey>YIVKWERKOGOQBV-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">206.201</moldb-average-mass>
  <moldb-mono-mass type="decimal">188.058578</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.27</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>2019763</chemspider-id>
  <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>CHEM075132</chemdb-id>
  <dsstox-id>DTXSID40228201</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00037924</susdat-id>
  <iupac>2-Phenyl-1H-imidazole-5-carboxylic acid--water (1/1)</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>Imidazoles</subklass>
  <paper-count type="integer">1</paper-count>
  <sync-id>CED0064272</sync-id>
  <structure-inchikey>YIVKWERKOGOQBV-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>100000000000000000000000000000000000000800000000000000000002004000000000000000080000000000000008000000000000000000001000000000020000000000800000000008000000000000200010008000000000000000000000000000000000000000000000000000000000000000000800000200000000000800000000100000000000000000000000000000000000000000000080000000000000000080000000000000000000100000000000000000040000000000000000002002000000000004200000000000000000000000000000040000000000400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���@������h��������(�������(������@(������@h�������@(������@(������@8�������@(������@h�������@h�������@h�������@h�������@h��������� ��(��� ��h���h���h���h��	 	
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  <structure-indexed-at type="dateTime">2026-09-19T04:26:30Z</structure-indexed-at>
</compound>
