5-Chloro-2-methylbenzimidazole

C8H7ClN2CAS 2818-69-1166.61 g/mol

Open in Covalent MOL file
NClNH
Aryl halide

Properties

Molecular formula
C8H7ClN2
Molar mass
166.61 g/mol
Exact mass
166.0298 Da
Melting point
215–218 °C
Water solubility
< 1 g/L (21.5 °C)
logP
2.52Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

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

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, P501

Identifiers

CAS number
2818-69-1
SMILES
Cc1nc2ccc(Cl)cc2[nH]1
InChIKey
NICFDLORAOTXMD-UHFFFAOYSA-N
InChI
InChI=1S/C8H7ClN2/c1-5-10-7-3-2-6(9)4-8(7)11-5/h2-4H,1H3,(H,10,11)

Weigh it out

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

Names and synonyms

12 names
  • 1H-Benzimidazole, 6-chloro-2-methyl-
  • Benzimidazole, 5-chloro-2-methyl-
  • 1H-Benzimidazole, 5-chloro-2-methyl-
  • Benzimidazole, 5(or 6)-chloro-2-methyl-
  • 6-Chloro-2-methyl-1H-benzimidazole
  • 2-Methyl-5-chlorobenzimidazole
  • Rosalin
  • Rozalin
  • 5-Chloro-2-methyl-1H-benzimidazole
  • 6-Chloro-2-methylbenzimidazole
  • NSC 60139
  • 5-Chloro-2-methyl-1H-benzoimidazole

Work with 5-Chloro-2-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-Chloro-2-mercaptobenzimidazole25369-78-259 % similar 6-Iodo-2-methyl-1H-benzimidazole2818-70-459 % similar 5,6-Dichloro-2-methylbenzimidazole6478-79-158 % similar 2-Methylbenzimidazole615-15-653 % similar 2,5,6-Trimethylbenzimidazole3363-56-252 % similar 2-Methyl-1H-1,3-benzodiazole-5-carboxylic acid709-19-350 % similar 5-Chlorobenzotriazole94-97-347 % similar 5-Chlorobenzimidazole4887-82-546 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-3-cyano-4,6-dimethylpyridine14237-71-9 4-Amino-3-chloro-5-methylbenzonitrile158296-69-6 2-Chloromethylbenzimidazole4857-04-9 2-(Chloromethyl)imidazo[1,2-A]pyridine57892-76-9 4-Chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine688782-02-7 7-Chloro-2-methyl-1H-pyrrolo[2,3-C]pyridine874013-97-5

Elsewhere

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