chempirical

2-Chloro-1H-imidazole

C3H3ClN2CAS 16265-04-6102.52 g/mol

Open in Covalent MOL file
ClNHN
Aryl halide

Properties

Molecular formula
C3H3ClN2
Molar mass
102.52 g/mol
Exact mass
101.9985 Da
Melting point
162–163 °C
logP
1.06Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
16265-04-6
SMILES
Clc1ncc[nH]1
InChIKey
OCVXSFKKWXMYPF-UHFFFAOYSA-N
InChI
InChI=1S/C3H3ClN2/c4-3-5-1-2-6-3/h1-2H,(H,5,6)

Weigh it out

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

Names and synonyms

3 names
  • 1H-Imidazole, 2-chloro-
  • Imidazole, 2-chloro-
  • 2-Chloroimidazole

Work with 2-Chloro-1H-imidazole

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

2,2′-Biimidazole492-98-848 % similar 1,3-Dihydro-2H-imidazol-2-one5918-93-442 % similar 2-Methylimidazole693-98-142 % similar 2-Imidazolidinethione872-35-542 % similar Imidazole-2-carboxaldehyde10111-08-738 % similar 2-Ethylimidazole1072-62-437 % similar 2-Isopropylimidazole36947-68-937 % similar 1H-Imidazole-2-methanol3724-26-337 % similar

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

Same formula

3-Chloro-1H-pyrazole14339-33-4 4-Chloropyrazole15878-00-9 5-Chloro-1H-imidazole15965-31-8

Elsewhere

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