<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">341319</id>
  <title nil="true"/>
  <common-name>1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-3-[(4-chlorophenyl)methyl]imidazol-3-ium</common-name>
  <description>1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-3-[(4-chlorophenyl)methyl]imidazol-3-ium is a compound with the formula C25H21Cl4N2O+. With an average molecular weight of 507.30 g/mol, 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-3-[(4-chlorophenyl)methyl]imidazol-3-ium is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>129318615</pubchem-id>
  <chemical-formula>C25H21Cl4N2O+</chemical-formula>
  <weight>507.3</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">2026-08-31T01:37:46Z</created-at>
  <updated-at type="dateTime">2026-08-31T01:37:46Z</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=C1C[N+]2=CN(C=C2)CC(C3=C(C=C(C=C3)Cl)Cl)OCC4=CC=C(C=C4)Cl)Cl</moldb-smiles>
  <moldb-formula>C25H21Cl4N2O+</moldb-formula>
  <moldb-inchi>InChI=1S/C25H21Cl4N2O/c26-20-5-1-18(2-6-20)14-30-11-12-31(17-30)15-25(23-10-9-22(28)13-24(23)29)32-16-19-3-7-21(27)8-4-19/h1-13,17,25H,14-16H2/q+1</moldb-inchi>
  <moldb-inchikey>OKEXFBIJQOQKDM-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">505.040799</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>7.1</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>CHEM337212</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>1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-3-[(4-chlorophenyl)methyl]imidazol-3-ium</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 nil="true"/>
  <superklass nil="true"/>
  <klass nil="true"/>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0291717</sync-id>
  <structure-inchikey>OKEXFBIJQOQKDM-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000000000800000000000000000001400100000000080000400000000800000000308000000000002000001000000000000000001000000000000000000020000400000000008000000000000000000010100000000000040000000200000040480000000000000100000000000000100000080000000001000000000000002020000000400000000000000000000000000400000000000000000000000000000000000000004080000000000000000000000100000000000000000000000200000000000000000000000002010000000000000000220400000000000000000000000000040000000000020000004000000000000000000000020</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�������@h�������@(������@h�������@h�������� ������ �������h���h���h���h���h���������h��	h�	
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	������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:41:17Z</structure-indexed-at>
</compound>
