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Substance Name: 1H-Benzimidazole, 5-(phenylmethyl)-2-(2-propenylthio)-, monohydrochloride
RN: 105770-83-0
InChIKey: LNXBIICXSNGSDN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H16-N2-S.Cl-H

Molecular Weight

  • 316.8543
 
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Names and Synonyms

Synonyms

  • 5-(Phenylmethyl)-2-(2-propenylthio)-1H-benzimidazole monohydrochloride
  • 5-Benzyl-2-(2-propenylthio)benzimidazole hydrochloride

Systematic Name

  • 1H-Benzimidazole, 5-(phenylmethyl)-2-(2-propenylthio)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 105770-83-0

System Generated Number

  • 0105770830

Molecular Formulas

Molecular Formula

  • C17-H16-N2-S.Cl-H

Molecular Formula Fragments

  • C17-H16-N2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H16N2S.ClH/c1-2-10-20-17-18-15-9-8-14(12-16(15)19-17)11-13-6-4-3-5-7-13;/h2-9,12H,1,10-11H2,(H,18,19);1H

InChIKey

LNXBIICXSNGSDN-UHFFFAOYSA-N

Smiles

C=CCSc1[nH]c2ccc(cc2n1)Cc3ccccc3.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 960mg/kg (960mg/kg)   United States Patent Document. Vol. #4814329,
rat LD50 oral > 2gm/kg (2000mg/kg)   United States Patent Document. Vol. #4814329,