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Substance Name: 1H-Benzimidazole, 2-(((1-(3-fluorophenyl)-1H-imidazol-2-yl)thio)methyl)-, dihydrochloride
RN: 123842-23-9
InChIKey: QDVZCLHXEUHREK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H13-F-N4-S.2Cl-H

Molecular Weight

  • 397.3035
 
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Names and Synonyms

Synonyms

  • 1-(3'-Fluorophenyl)-2-(2'-(benzimidazolyl)methylthio)imidazole dihydrochloride
  • 2-(((1-(3-Fluorophenyl)-1H-imidazol-2-yl)thio)methyl)-1H-benzimidazole dihydrochloride

Systematic Name

  • 1H-Benzimidazole, 2-(((1-(3-fluorophenyl)-1H-imidazol-2-yl)thio)methyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 123842-23-9

System Generated Number

  • 0123842239

Molecular Formulas

Molecular Formula

  • C17-H13-F-N4-S.2Cl-H

Molecular Formula Fragments

  • C17-H13-F-N4-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H13FN4S.2ClH/c18-12-4-3-5-13(10-12)22-9-8-19-17(22)23-11-16-20-14-6-1-2-7-15(14)21-16;;/h1-10H,11H2,(H,20,21);2*1H

InChIKey

QDVZCLHXEUHREK-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)[nH]c(n2)CSc3nccn3c4cccc(c4)F.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 900mg/kg (900mg/kg)   United States Patent Document. Vol. #5066652,