chempirical

2-Bromo-1H-imidazole

C3H3BrN2CAS 16681-56-4146.97 g/mol

Open in Covalent MOL file
NNHBr
Aryl halide

Properties

Molecular formula
C3H3BrN2
Molar mass
146.97 g/mol
Exact mass
145.9480 Da
logP
1.17Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
16681-56-4
SMILES
C1=CN=C(N1)Br
InChIKey
AXHRGVJWDJDYPO-UHFFFAOYSA-N
InChI
InChI=1S/C3H3BrN2/c4-3-5-1-2-6-3/h1-2H,(H,5,6)

Weigh it out

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Work with 2-Bromo-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

2,2′-Biimidazole492-98-848 % similar 2-Chloro-1H-imidazole16265-04-642 % similar 1,3-Dihydro-2H-imidazol-2-one5918-93-442 % similar 2-Methylimidazole693-98-142 % similar 2-Imidazolidinethione872-35-542 % similar Imidazole-2-carboxaldehyde10111-08-738 % similar 2-Isopropylimidazole36947-68-937 % similar 1H-Imidazole-2-methanol3724-26-337 % similar

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

Same formula

3-Bromo-1H-pyrazole14521-80-3 4-Bromopyrazole2075-45-8 4-Bromoimidazole2302-25-2

Elsewhere

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