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

Hazards

Warning
Irritant (GHS07)

Aggregated from 47 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
872-49-1
SMILES
Cn1cncc1Cl
InChIKey
NYDGOZPYEABERA-UHFFFAOYSA-N
InChI
InChI=1S/C4H5ClN2/c1-7-3-6-2-4(7)5/h2-3H,1H3

Weigh it out

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

5-Chloro-1-methyl-1H-imidazolium nitrate4531-53-7Salt

Similar compounds

5-Bromo-1-methyl-1H-imidazole1003-21-056 % similar 5-Iodo-1-methyl-1H-imidazole71759-88-150 % similar 1-Methyl-1H-imidazole-5-carbaldehyde39021-62-045 % similar 1-Methyl-5-aminomethylimidazole486414-86-245 % similar 1-Methyl-1H-imidazole-5-carboxylic acid41806-40-041 % similar Methyl 1-methyl-1H-imidazole-5-carboxylate17289-20-238 % similar 6-Chloro-9-methylpurine2346-74-932 % similar 5-Chloro-1,3-dimethyl-1H-pyrazole54454-10-332 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chloro-5-methyl-1H-pyrazole15953-45-4 2-Chloro-1-methyl-1H-imidazole253453-91-7

Elsewhere

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