chempirical

2-(2′-Pyridyl)benzimidazole

C12H9N3CAS 1137-68-4195.22 g/mol

Open in Covalent MOL file
NNHN

Properties

Molecular formula
C12H9N3
Molar mass
195.22 g/mol
Exact mass
195.0796 Da
Melting point
220–221 °C
logP
2.62Crippen estimate
Polar surface area
41.6 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
1137-68-4
SMILES
c1ccc(-c2nc3ccccc3[nH]2)nc1
InChIKey
YNFBMDWHEHETJW-UHFFFAOYSA-N
InChI
InChI=1S/C12H9N3/c1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11/h1-8H,(H,14,15)

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Names and synonyms

13 names · show all
  • 1H-Benzimidazole, 2-(2-pyridinyl)-
  • Benzimidazole, 2-(2-pyridyl)-
  • 2-(2-Pyridinyl)-1H-benzimidazole
  • 2-(2-Pyridyl)benzimidazole
  • G 581
  • 2-(2′-Pyrido)benzimidazole
  • 2-(Pyridin-2-yl)benzimidazole
  • 2-(2-Pyridyl)-1H-benzimidazole
  • NSC 110942
  • NSC 32814
  • 2-(Pyridin-2-yl)-1H-benzo[d]imidazole
  • 2,6-Bis(2-benzimidazol-2-yl)pyridine
  • 2-(Pyridin-2-yl)-1H-1,3-benzodiazole

Work with 2-(2′-Pyridyl)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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Thiabendazole148-79-856 % similar 2-Phenylbenzimidazole716-79-053 % similar Mercaptobenzimidazole583-39-152 % similar 2,2′-Bipyridine366-18-750 % similar Terpyridine1148-79-448 % similar 2,4,6-Tris(2′-pyridyl)-1,3,5-triazine3682-35-748 % similar 2-Isopropylbenzimidazole5851-43-447 % similar 2-Chlorobenzimidazole4857-06-147 % similar

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

Elsewhere

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