chempirical

Dibazole

C14H12N2CAS 621-72-7208.26 g/mol

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NNH

Properties

Molecular formula
C14H12N2
Molar mass
208.26 g/mol
Exact mass
208.1000 Da
Density
1.14 g/mL (at 298.15 °C)
Melting point
187 °C
logP
3.15Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
621-72-7
SMILES
c1ccc(Cc2nc3ccccc3[nH]2)cc1
InChIKey
YTLQFZVCLXFFRK-UHFFFAOYSA-N
InChI
InChI=1S/C14H12N2/c1-2-6-11(7-3-1)10-14-15-12-8-4-5-9-13(12)16-14/h1-9H,10H2,(H,15,16)

Weigh it out

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

Names and synonyms

15 names · show all
  • 1H-Benzimidazole, 2-(phenylmethyl)-
  • Benzimidazole, 2-benzyl-
  • 2-(Phenylmethyl)-1H-benzimidazole
  • Bendazol
  • 2-Benzylbenzimidazole
  • Dibasol
  • Dibazol
  • Tromasedan
  • Bendazole
  • NSC 60020
  • NSC 631632
  • 2-Benzyl-1H-benzimidazole
  • 2-Benzyl-1H-benzo[d]imidazole
  • 2-Benzyl-1H-1,3-benzodiazole
  • 2-Benzyl-1H-benzoimidazole

Work with Dibazole

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

2-Ethylbenzimidazole1848-84-658 % similar 1H-Benzimidazole-2-methanol4856-97-758 % similar 2-(Chloromethyl)benzimidazole4857-04-958 % similar 1H-Benzimidazole-2-acetonitrile4414-88-455 % similar 2-Propyl-1H-benzimidazole5465-29-255 % similar 2-Phenylbenzimidazole716-79-053 % similar 1H-Benzimidazole-2-propanol2403-66-951 % similar 2-Pentyl-1H-benzimidazole5851-46-750 % similar

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

Same formula

5,6-Dimethyl-1,10-phenanthroline3002-81-1 4,7-Dimethyl-1,10-phenanthroline3248-05-3 Neocuproine484-11-7 Benzalazine588-68-1

Elsewhere

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