chempirical

2-(Chloromethyl)benzimidazole

C8H7ClN2CAS 4857-04-9166.61 g/mol

Open in Covalent MOL file
ClNNH
Alkyl halide

Properties

Molecular formula
C8H7ClN2
Molar mass
166.61 g/mol
Exact mass
166.0298 Da
Melting point
160–161 °C
logP
2.30Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
4857-04-9
SMILES
ClCc1nc2ccccc2[nH]1
InChIKey
SPMLMLQATWNZEE-UHFFFAOYSA-N
InChI
InChI=1S/C8H7ClN2/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5H2,(H,10,11)

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

Names and synonyms

7 names
  • 1H-Benzimidazole, 2-(chloromethyl)-
  • Benzimidazole, 2-(chloromethyl)-
  • 2-(Chloromethyl)-1H-benzimidazole
  • NSC 103708
  • NSC 15436
  • 2-(Chloromethyl)-1H-benzo[d]imidazole
  • 2-(Chloromethyl)-1H-1,3-benzodiazole

Work with 2-(Chloromethyl)benzimidazole

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

1H-Benzimidazole-2-acetonitrile4414-88-461 % similar 2-Ethylbenzimidazole1848-84-660 % similar 1H-Benzimidazole-2-methanol4856-97-760 % similar Dibazole621-72-758 % similar 2-Propyl-1H-benzimidazole5465-29-256 % similar 2-Chlorobenzimidazole4857-06-153 % similar 1H-Benzimidazole-2-propanol2403-66-953 % similar 2-Pentyl-1H-benzimidazole5851-46-751 % similar

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

Same formula

5-Chloro-2-methylbenzimidazole2818-69-1 4-Chloro-3-methyl-1H-pyrrolo[2,3-B]pyridine688782-02-7

Elsewhere

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