<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">307187</id>
  <title nil="true"/>
  <common-name>4-(4-phenylsulfanylpiperazin-1-yl)-1h-benzimidazole</common-name>
  <description>4-(4-phenylsulfanylpiperazin-1-yl)-1h-benzimidazole belongs to the piperazines, a subclass of diazinanes within the organic compounds. This organoheterocyclic compound has the formula C17H18N4S and an average molecular weight of 310.40 g/mol.</description>
  <cas>84806-93-9</cas>
  <pubchem-id>3069498</pubchem-id>
  <chemical-formula>C17H18N4S</chemical-formula>
  <weight>310.4</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">2026-08-29T01:11:45Z</created-at>
  <updated-at type="dateTime">2026-08-29T01:11:45Z</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>C1CN(CCN1C2=CC=CC3=C2N=CN3)SC4=CC=CC=C4</moldb-smiles>
  <moldb-formula>C17H18N4S</moldb-formula>
  <moldb-inchi>InChI=1S/C17H18N4S/c1-2-5-14(6-3-1)22-21-11-9-20(10-12-21)16-8-4-7-15-17(16)19-13-18-15/h1-8,13H,9-12H2,(H,18,19)</moldb-inchi>
  <moldb-inchikey>ZELOZEAVYRGRNL-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">310.1252178</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.4</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>CHEM303080</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>4-(4-phenylsulfanylpiperazin-1-yl)-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>Diazinanes</klass>
  <subklass>Piperazines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0258239</sync-id>
  <structure-inchikey>ZELOZEAVYRGRNL-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>10000000000000000000000900000000000000000000000000010000000000000000000000000002000000002004000100000000040000000000000000000000000000000000000000000000000000000000000000004000000000000000000040021000002000004000000000000000020100000000000000000000000201000000000000800000200000000000000008000100000000000000000000000100000000000000000001088000000000000000280000008000000800000000000000000000000000000000010000000000000000000900000200000001000000000000000000000040000000000000000000000000000000010000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`������� ������`�������`�������(������@(������@h�������@h�������@h�������@(������@(������@(������@h�������@8�������� �����@(������@h�������@h�������@h�������@h�������@h������������������������ ��h���h��	h�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:15:27Z</structure-indexed-at>
</compound>
