chempirical

1-Benzyl-2-(chloromethyl)imidazole hydrochloride

C11H12Cl2N2CAS 19276-03-0243.13 g/mol

Open in Covalent MOL file
HClClNN
Alkyl halide

Properties

Molecular formula
C11H12Cl2N2
Molar mass
243.13 g/mol
Exact mass
242.0378 Da
Melting point
181–182 °C
logP
3.09Crippen estimate
Polar surface area
17.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Identifiers

CAS number
19276-03-0
SMILES
Cl.ClCc1nccn1Cc1ccccc1
InChIKey
IOOCHXMDSFPOGL-UHFFFAOYSA-N
InChI
InChI=1S/C11H11ClN2.ClH/c12-8-11-13-6-7-14(11)9-10-4-2-1-3-5-10;/h1-7H,8-9H2;1H

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

Names and synonyms

4 names
  • 1H-Imidazole, 2-(chloromethyl)-1-(phenylmethyl)-, hydrochloride (1:1)
  • Imidazole, 1-benzyl-2-(chloromethyl)-, monohydrochloride
  • 1H-Imidazole, 2-(chloromethyl)-1-(phenylmethyl)-, monohydrochloride
  • 1-Benzyl-2-(chloromethyl)-1H-imidazole hydrochloride

Work with 1-Benzyl-2-(chloromethyl)imidazole hydrochloride

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

1-Benzyl-2-methylimidazole13750-62-451 % similar Picolyl chloride hydrochloride6959-47-341 % similar 3-(Chloromethyl)pyridine hydrochloride6959-48-440 % similar Benzyl chloride100-44-738 % similar 4-Picolyl chloride hydrochloride1822-51-137 % similar 2-(Chloromethyl)pyrimidine hydrochloride936643-80-037 % similar 1-Benzylimidazole4238-71-537 % similar N-Benzylpyrrole2051-97-035 % similar

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

Elsewhere

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