<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">341052</id>
  <title nil="true"/>
  <common-name>(e)-2-(1h-benzimidazol-2-yl)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enenitrile</common-name>
  <description>(e)-2-(1h-benzimidazol-2-yl)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enenitrile is a chemical compound with the formula C25H17N5. It has an average molecular weight of 387.40 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>5933262</pubchem-id>
  <chemical-formula>C25H17N5</chemical-formula>
  <weight>387.4</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">2026-08-31T01:08:32Z</created-at>
  <updated-at type="dateTime">2026-08-31T01:08:32Z</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=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4N3)C5=CC=CC=C5</moldb-smiles>
  <moldb-formula>C25H17N5</moldb-formula>
  <moldb-inchi>InChI=1S/C25H17N5/c26-16-19(25-27-22-13-7-8-14-23(22)28-25)15-20-17-30(21-11-5-2-6-12-21)29-24(20)18-9-3-1-4-10-18/h1-15,17H,(H,27,28)/b19-15+</moldb-inchi>
  <moldb-inchikey>OCFNABARNURAIJ-XDJHFCHBSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">387.1483956</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.9</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>CHEM336945</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>(e)-2-(1h-benzimidazol-2-yl)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enenitrile</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>Pyrazoles</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0291450</sync-id>
  <structure-inchikey>OCFNABARNURAIJ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>100000000000000000000000000000000000000000040000000100001000000002004000000000000000400890000000000000001000000000000000000000000000000000020000200000000008000000000004200110000200800000000000000000008000100008040000000000000000000004000000000804000200000000000800000000100000000800000000000000000000000400000000000088000000000000000010200000200040000000000000000002000000000000000000000000000000000000000006200000001000000000040000001000040000000000000000000080000000000000200000000</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�������@(������@8�������@(������@h�������@h�������@h�������@h�������@h���������h���h���h���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">2026-09-19T05:41:06Z</structure-indexed-at>
</compound>
