chempirical

2,5,6-Trimethylbenzimidazole

C10H12N2CAS 3363-56-2160.22 g/mol

Open in Covalent MOL file
NNH

Properties

Molecular formula
C10H12N2
Molar mass
160.22 g/mol
Exact mass
160.1000 Da
Melting point
233–234 °C
logP
2.49Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
3363-56-2
SMILES
Cc1nc2cc(C)c(C)cc2[nH]1
InChIKey
AFNRMRFWCAJQGP-UHFFFAOYSA-N
InChI
InChI=1S/C10H12N2/c1-6-4-9-10(5-7(6)2)12-8(3)11-9/h4-5H,1-3H3,(H,11,12)

Weigh it out

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

Names and synonyms

6 names
  • 1H-Benzimidazole, 2,5,6-trimethyl-
  • Benzimidazole, 2,5,6-trimethyl-
  • 2,5,6-Trimethyl-1H-benzimidazole
  • NSC 401569
  • 2,5,6-Trimethyl-1H-benzoimidazole
  • 2,5,6-Trimethyl-1H-1,3-benzodiazole

Work with 2,5,6-Trimethylbenzimidazole

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

5,6-Dichloro-2-methylbenzimidazole6478-79-160 % similar 6-Iodo-2-methyl-1H-benzimidazole2818-70-456 % similar 5-Chloro-2-methylbenzimidazole2818-69-152 % similar 2-Methylbenzimidazole615-15-650 % similar 5,6-Dimethyl-1H-benzotriazole4184-79-645 % similar 5,6-Dimethylbenzimidazole582-60-545 % similar 2-Methyl-1H-1,3-benzodiazole-5-carboxylic acid709-19-344 % similar 5-Amino-1,3-dihydro-6-methyl-2H-benzimidazol-2-one67014-36-243 % similar

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

Same formula

2-(4-Aminophenyl)-2-methylpropanenitrile115279-57-7 (R,S)-Anatabine2743-90-0 3-[(3-Methylphenyl)amino]propanenitrile27618-25-3 2-Propyl-1H-benzimidazole5465-29-2 1-Ethyl-2-methyl-1H-benzimidazole5805-76-5 2-Isopropylbenzimidazole5851-43-4 Tolazoline59-98-3 Tryptamine61-54-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook