5-Methylbenzimidazole

C8H8N2CAS 614-97-1132.17 g/mol

Open in Covalent MOL file
NNH

Properties

Molecular formula
C8H8N2
Molar mass
132.17 g/mol
Exact mass
132.0687 Da
Melting point
112–113 °C
Boiling point
169–172 °C (at 0.1 Torr)
logP
1.87Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
614-97-1
SMILES
Cc1ccc2nc[nH]c2c1
InChIKey
RWXZXCZBMQPOBF-UHFFFAOYSA-N
InChI
InChI=1S/C8H8N2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3,(H,9,10)

Weigh it out

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

Names and synonyms

7 names
  • 1H-Benzimidazole, 6-methyl-
  • Benzimidazole, 5-methyl-
  • 1H-Benzimidazole, 5-methyl-
  • Benzimidazole, 5(or 6)-methyl-
  • 6-Methyl-1H-benzimidazole
  • 5-Methyl-1H-benzimidazole
  • NSC 3826

Work with 5-Methylbenzimidazole

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-Chlorobenzimidazole4887-82-555 % similar 6-Bromo-1H-benzimidazole4887-88-155 % similar 5-Aminobenzimidazole934-22-555 % similar 5-Methoxybenzimidazole4887-80-355 % similar 5,6-Dimethylbenzimidazole582-60-553 % similar 5-(Hydroxymethyl)-1H-benzimidazole106429-29-250 % similar 5-Methylbenzotriazole136-85-650 % similar 1H-Benzimidazole-6-carboxaldehyde58442-17-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Cyanobenzylamine10406-25-4 1-Methylbenzimidazole1632-83-3 5-Methyl-1H-indazole1776-37-0 2-Methyl-7-azaindole23612-48-8 2-Amino-4-methylbenzonitrile26830-96-6 Phenylglycine nitrile2973-50-4 2-(Phenylamino)acetonitrile3009-97-0 3-Methyl-1H-indazole3176-62-3

Elsewhere

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