chempirical

2-Amino-1-benzylbenzimidazole

C14H13N3CAS 43182-10-1223.28 g/mol

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HNNHN

Properties

Molecular formula
C14H13N3
Molar mass
223.28 g/mol
Exact mass
223.1109 Da
Melting point
192–193 °C
logP
2.50Crippen estimate
Polar surface area
44.6 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
2

Identifiers

CAS number
43182-10-1
SMILES
N=c1[nH]c2ccccc2n1Cc1ccccc1
InChIKey
LXIDSOCBAAMGJX-UHFFFAOYSA-N
InChI
InChI=1S/C14H13N3/c15-14-16-12-8-4-5-9-13(12)17(14)10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,15,16)

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Names and synonyms

10 names
  • 1H-Benzimidazol-2-amine, 1-(phenylmethyl)-
  • Benzimidazole, 2-amino-1-benzyl-
  • 1-(Phenylmethyl)-1H-benzimidazol-2-amine
  • 1-Benzyl-2-aminobenzimidazole
  • 2-Imino-1-benzyl-1,3-dihydrobenzimidazole
  • 1-Benzyl-1H-benzoimidazol-2-ylamine
  • 1-Benzyl-1H-1,3-benzodiazol-2-amine
  • 1-Benzylbenzimidazol-2-amine
  • 1-Benzyl-1H-benzimidazol-2-amine
  • 1-Benzyl-1H-benzo[d]imidazol-2-amine

Work with 2-Amino-1-benzylbenzimidazole

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

1-Methyl-1H-benzimidazol-2-amine1622-57-750 % similar 1-Benzyl-1H-indazol-3-ol2215-63-635 % similar N-Benzylpyrrole2051-97-034 % similar 1-Benzyl-1H-indole-3-carbaldehyde10511-51-033 % similar 2-Aminobenzimidazole934-32-732 % similar Dibazole621-72-732 % similar 1-(Phenylmethyl)-1H-indole-3-carboxylic acid27018-76-431 % similar 2-Chloro-1-(4-fluorobenzyl)-1H-benzimidazole84946-20-331 % similar

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

Elsewhere

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