2-Chlorobenzimidazole

C7H5ClN2CAS 4857-06-1152.58 g/mol

Open in Covalent MOL file
ClNNH
Aryl halide

Properties

Molecular formula
C7H5ClN2
Molar mass
152.58 g/mol
Exact mass
152.0141 Da
Melting point
212–215 °C
logP
2.22Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 79 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
4857-06-1
SMILES
Clc1nc2ccccc2[nH]1
InChIKey
AYPSHJCKSDNETA-UHFFFAOYSA-N
InChI
InChI=1S/C7H5ClN2/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)

Weigh it out

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

Names and synonyms

6 names
  • 1H-Benzimidazole, 2-chloro-
  • Benzimidazole, 2-chloro-
  • 2-Chloro-1H-benzimidazole
  • NSC 111358
  • 2-Chloro-1H-benzo[d]imidazole
  • 2-Chloro-1H-1,3-benzodiazole

Work with 2-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

2,6-Bis(2-benzimidazolyl)pyridine28020-73-757 % similar 2-Methylbenzimidazole615-15-657 % similar Chlorfenazole3574-96-755 % similar 2-Phenylbenzimidazole716-79-054 % similar 2-Ethylbenzimidazole1848-84-653 % similar 2-Chloromethylbenzimidazole4857-04-953 % similar 2-Bromo-1H-benzimidazole54624-57-652 % similar Mercaptobenzimidazole583-39-152 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-3-pyridineacetonitrile101012-32-2 6-Chloro-1H-pyrrolo[3,2-b]pyridine1021339-19-4 4-Chloro (1H)indazole13096-96-3 5-Chloro-1H-pyrrolo[2,3-C]pyridine131084-55-4 6-Chloromethyl-2-cyanopyridine135450-23-6 4-Amino-2-chlorobenzonitrile20925-27-3 4-Amino-3-chlorobenzonitrile21803-75-8 2-Chloro-6-methyl-3-pyridinecarbonitrile28900-10-9

Elsewhere

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