chempirical

5-Bromo-2-methyl-1H-imidazole

C4H5BrN2CAS 16265-11-5161.00 g/mol

Open in Covalent MOL file
NBrNH
Aryl halide

Properties

Molecular formula
C4H5BrN2
Molar mass
161.00 g/mol
Exact mass
159.9636 Da
logP
1.48Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
16265-11-5
SMILES
Cc1ncc(Br)[nH]1
InChIKey
APLZLUYWLINBOZ-UHFFFAOYSA-N
InChI
InChI=1S/C4H5BrN2/c1-3-6-2-4(5)7-3/h2H,1H3,(H,6,7)

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

Names and synonyms

5 names
  • 1H-Imidazole, 5-bromo-2-methyl-
  • Imidazole, 4-bromo-2-methyl-
  • 1H-Imidazole, 4-bromo-2-methyl-
  • 4-Bromo-2-methylimidazole
  • 4-Bromo-2-methyl-1H-imidazole

Work with 5-Bromo-2-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4-Dimethylimidazole930-62-152 % similar 5-Iodo-2-methyl-1H-imidazole73746-45-950 % similar 2-Methyl-5-nitroimidazole696-23-139 % similar 2-Methyl-5-nitroimidazole88054-22-239 % similar Toxopyrimidine73-67-637 % similar 4-Amino-2-methyl-5-pyrimidinemethanamine95-02-337 % similar 4,5-Diiodo-2-methyl-1H-imidazole73746-44-833 % similar 4-Bromoimidazole2302-25-232 % similar

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

Same formula

5-Bromo-1-methyl-1H-imidazole1003-21-0 4-Bromo-3-methyl-1H-pyrazole13808-64-5 4-Bromo-1-methyl-1H-pyrazole15803-02-8 2-Bromo-1-methyl-1H-imidazole16681-59-7

Elsewhere

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