5-Chlorobenzimidazole

C7H5ClN2CAS 4887-82-5152.58 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
166–167 °C
logP
2.22Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 68 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
4887-82-5
SMILES
Clc1ccc2nc[nH]c2c1
InChIKey
NKLOLMQJDLMZRE-UHFFFAOYSA-N
InChI
InChI=1S/C7H5ClN2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,(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-chloro-
  • Benzimidazole, 5-chloro-
  • 1H-Benzimidazole, 5-chloro-
  • Benzimidazole, 5(or 6)-chloro-
  • 6-Chloro-1H-benzimidazole
  • 5-Chloro-1H-benzimidazole
  • NSC 3059

Work with 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

6-Bromo-1H-benzimidazole4887-88-155 % similar 5-Methylbenzimidazole614-97-155 % similar 5-Aminobenzimidazole934-22-555 % similar 5,6-Dichlorobenzimidazole6478-73-553 % similar 5-Chlorobenzotriazole94-97-352 % similar 5-(Hydroxymethyl)-1H-benzimidazole106429-29-250 % similar 5-Methoxybenzimidazole4887-80-350 % similar 1H-Benzimidazole-6-carboxaldehyde58442-17-450 % 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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