chempirical

5-Chloro-1-methyl-1H-imidazole

C4H5ClN2CAS 872-49-1116.55 g/mol

Open in Covalent MOL file
NNCl
Aryl halide

Properties

Molecular formula
C4H5ClN2
Molar mass
116.55 g/mol
Exact mass
116.0141 Da
Boiling point
250–252 °C
logP
1.07Crippen estimate
Polar surface area
17.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
872-49-1
SMILES
Cn1cncc1Cl
InChIKey
NYDGOZPYEABERA-UHFFFAOYSA-N
InChI
InChI=1S/C4H5ClN2/c1-7-3-6-2-4(7)5/h2-3H,1H3

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

Names and synonyms

4 names
  • 1H-Imidazole, 5-chloro-1-methyl-
  • Imidazole, 5-chloro-1-methyl-
  • 5-Chloro-1-methylimidazole
  • 1-Methyl-5-chloroimidazole

Work with 5-Chloro-1-methyl-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1H-Imidazole, 5-chloro-1-methyl-, nitrate (1:1)4531-53-761 % similar 5-Bromo-1-methyl-1H-imidazole1003-21-056 % similar 5-Iodo-1-methyl-1H-imidazole71759-88-150 % similar 5-Chloro-1,3-dimethyl-1H-pyrazole54454-10-332 % similar 3-Methylhistidine368-16-132 % similar 2,6-Dichloro-7-methyl-7H-purine2273-93-031 % similar 4-Methyl-4H-1,2,4-triazole-3-thiol24854-43-130 % similar

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

Elsewhere

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