chempirical

Benzimidazole

C7H6N2CAS 51-17-2118.14 g/mol

Open in Covalent MOL file
NHN

Properties

Molecular formula
C7H6N2
Molar mass
118.14 g/mol
Exact mass
118.0531 Da
Density
1.23 g/mL
Melting point
170.5 °C
Boiling point
above 360 °C
pKa
5.48 (25 °C)
Water solubility
< 1 g/L (17.2 °C)
logP
1.56Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 153 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
51-17-2
SMILES
c1ccc2[nH]cnc2c1
InChIKey
HYZJCKYKOHLVJF-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9)

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

13 names · show all
  • 1H-Benzimidazole
  • 3-Azaindole
  • Azindole
  • o-Benzimidazole
  • 1,3-Benzodiazole
  • Benzoglyoxaline
  • 1,3-Diazaindene
  • N,N′-Methenyl-o-phenylenediamine
  • Benziminazole
  • BZI
  • NSC 759
  • 1H-Benzo[d]imidazole
  • 1H-1,3-Benzodiazole

Reactions

Work with Benzimidazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Azabenzimidazole272-97-952 % similar 5-Chlorobenzimidazole4887-82-548 % similar 6-Bromo-1H-benzimidazole4887-88-148 % similar 5-Methylbenzimidazole614-97-148 % similar 5-Aminobenzimidazole934-22-548 % similar 1H-Pyrrolo[3,2-b]pyridine272-49-148 % similar Imidazo[4,5-b]pyridine273-21-248 % similar 4-Bromo-1H-benzimidazole83741-35-945 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-(Cyanomethylene)cyclobutanecarbonitrile1153949-98-4 Pyridin-4-yl-acetonitrile13121-99-8 6-Methyl-2-pyridinecarbonitrile1620-75-3 4-Methyl-2-pyridinecarbonitrile1620-76-4 5-Methyl-2-pyridinecarbonitrile1620-77-5 2-Methylpyridine-3-carbonitrile1721-23-9 2-Aminobenzonitrile1885-29-6 3-Methyl-2-pyridinecarbonitrile20970-75-6

Elsewhere

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