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Substance Name: Benzimidazole
RN: 51-17-2
UNII: E24GX49LD8
InChIKey: HYZJCKYKOHLVJF-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Anthelmintics
  • Anti-Infective Agents
  • Antiparasitic Agents
  • Experimental Pesticide
  • Mutation Data
  • Unspecified / Unclassified Pesticide

Molecular Formula

  • C7-H6-N2

Molecular Weight

  • 118.1384
 
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Names and Synonyms

Name of Substance

  • Benzimidazole

Synonyms

  • 1,3-Benzodiazole
  • 1,3-Diazaindene
  • 1H-Benzimidazole
  • 3-Azaindole
  • 5-23-06-00196 (Beilstein Handbook Reference)
  • AI3-03737
  • Azindole
  • Benzimidazole
  • Benziminazole
  • Benzoglyoxaline
  • Benzoimidazole
  • BRN 0109682
  • BZI
  • CCRIS 5967
  • EINECS 200-081-4
  • HSDB 2797
  • N,N'-Methenyl-o-phenylenediamine
  • NSC 759
  • o-Benzimidazole
  • UNII-E24GX49LD8

Systematic Names

  • 1H-Benzimidazole
  • Benzimidazole

Registry Numbers

CAS Registry Number

  • 51-17-2

FDA UNII

  • E24GX49LD8

Other Registry Numbers

  • 116421-27-3
  • 25463-25-6
  • 79351-71-6

System Generated Number

  • 0000051172

Structure Descriptors

InChI

1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9)

InChIKey

HYZJCKYKOHLVJF-UHFFFAOYSA-N

Smiles

c12c(nc[nH]1)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 445mg/kg (445mg/kg)   Pharmaceutical Chemistry Journal Vol. 14, Pg. 130, 1980.
mouse LD50 intravenous 280mg/kg (280mg/kg)   "Principles of Medicinal Chemistry," Foye, W.O., et al., eds., Philadelphia, Lea & Febiger, 1974Vol. -, Pg. 246, 1974.
mouse LD50 oral 2910mg/kg (2910mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Journal of Pharmacology and Experimental Therapeutics. Vol. 105, Pg. 486, 1952.
rat LD50 intraperitoneal 385mg/kg (385mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) Archives Internationales de Pharmacodynamie et de Therapie. Vol. 95, Pg. 123, 1953.
rat LDLo oral 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 22, 1953.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 170.5 deg C   EXP
Boiling Point >360 deg C   EXP
pKa Dissociation Constant 5.3 (none) 25 EXP
log P (octanol-water) 1.32 (none)   EXP
Water Solubility 2010 mg/L 20 EXP
Vapor Pressure 7.64E-05 mm Hg 25 EST
Henry's Law Constant 3.67E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.60E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.