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

C₄H₅BrN₂CAS 16681-59-7161.00 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₅BrN₂
Molar mass: 161.00 g/mol
Exact mass: 159.9636 Da
Boiling point: 115 °C (at 20 Torr)
logP: 1.18Crippen estimate
Polar surface area: 17.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

16681-59-7

SMILES

Cn1ccnc1Br

InChIKey

BANOTGHIHYMTDL-UHFFFAOYSA-N

InChI

InChI=1S/C4H5BrN2/c1-7-3-2-6-4(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, 2-bromo-1-methyl-
Imidazole, 2-bromo-1-methyl-
2-Bromo-1-methylimidazole
2-Bromo-N-methylimidazole

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

Similar compounds

1,2-Dimethylimidazole1739-84-050 % similar Methimazole60-56-048 % similar 1-Methyl-1H-imidazole-2-carboxylic acid20485-43-239 % similar 2-Bromo-1-(triphenylmethyl)-1H-imidazole67478-47-138 % similar 4,5-Dibromo-1-methyl-1H-imidazole1003-50-537 % similar Ethyl 1-methylimidazole-2-carboxylate30148-21-134 % similar 4-Bromo-1-methyl-1H-imidazole-5-carboxaldehyde141524-74-531 % 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 5-Bromo-2-methyl-1H-imidazole16265-11-5

Elsewhere

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