Dibazole

C14H12N2CAS 621-72-7208.26 g/mol

Open in Covalent MOL file
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

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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-(4-Chlorobenzyl)benzimidazole5468-66-672 % similar 2-(3,4-Dichlorobenzyl)-1H-benzo[d]imidazole213133-77-861 % similar 2-Ethylbenzimidazole1848-84-658 % similar 2-(Hydroxymethyl)-1H-benzimidazole4856-97-758 % similar 2-Chloromethylbenzimidazole4857-04-958 % similar 1H-Benzimidazole-2-acetonitrile4414-88-455 % similar 2-Propyl-1H-benzimidazole5465-29-255 % similar 2-Phenylbenzimidazole716-79-053 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Benzaldehyde azine28867-76-7 5,6-Dimethyl-1,10-phenanthroline3002-81-1 4,7-Dimethyl-1,10-phenanthroline3248-05-3 Anthracene-2,6-diamine46710-42-3 Neocuproine484-11-7 Benzalazine588-68-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook