chempirical

2-Amino-5-chlorobenzimidazole

C7H6ClN3CAS 5418-93-9167.60 g/mol

Open in Covalent MOL file
HNHNClNH
Aryl halide

Properties

Molecular formula
C7H6ClN3
Molar mass
167.60 g/mol
Exact mass
167.0250 Da
Melting point
167–168 °C
logP
1.63Crippen estimate
Polar surface area
55.4 Ų
H-bond donors / acceptors
3 / 1
Rotatable bonds
0

Identifiers

CAS number
5418-93-9
SMILES
N=c1[nH]c2ccc(Cl)cc2[nH]1
InChIKey
PDOCNPCPPLPXRV-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClN3/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H3,9,10,11)

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Names and synonyms

12 names
  • 1H-Benzimidazol-2-amine, 6-chloro-
  • Benzimidazole, 2-amino-5-chloro-
  • 1H-Benzimidazol-2-amine, 5-chloro-
  • Benzimidazole, 2-amino-5(or 6)-chloro-
  • 6-Chloro-1H-benzimidazol-2-amine
  • 2-Amino-6-chlorobenzimidazole
  • 5-Chloro-2-benzimidazolamine
  • 5-Chloro-2-aminobenzimidazole
  • 2-Amino-5-chloro-1H-benzimidazole
  • NSC 10545
  • 5-Chlorobenzoimidazol-2-ylamine
  • 5-Chloro-1H-benzimidazol-2-amine

Work with 2-Amino-5-chlorobenzimidazole

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-Aminobenzimidazole934-32-750 % similar 5-Chloro-2-benzothiazolamine20358-00-348 % similar 2-Amino-6-chlorobenzothiazole95-24-948 % similar Zoxazolamine61-80-347 % similar 2-Amino-5-nitrobenzimidazole6232-92-446 % similar 2-Amino-5,6-dimethylbenzimidazole29096-75-145 % similar Irsogladine57381-26-744 % similar 2-Chloro-9H-carbazole10537-08-342 % similar

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

Same formula

6-Chloro-2-methylimidazo(1,2-b)pyridazine14793-00-1 6-Chloro-1H-indazol-3-amine16889-21-7

Elsewhere

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