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

C4H5BrN2CAS 16681-59-7161.00 g/mol

Open in Covalent MOL file
NNBr
Aryl halide

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 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, P501

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

1,1'-Dimethyl-1H,1'H-[2,2']biimidazolyl37570-94-854 % similar 1,2-Dimethylimidazole1739-84-050 % similar 2-Chloro-1-methyl-1H-imidazole253453-91-748 % similar 2-Iodo-1-methyl-1H-imidazole37067-95-148 % similar Methimazole60-56-048 % similar 1-Methyl-1H-imidazol-2-amine6646-51-148 % similar 1-Methyl-2-imidazolecarboxaldehyde13750-81-743 % similar (1-Methyl-1H-imidazol-2-yl)methanol17334-08-643 % 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 1H-Pyrazole,3-bromo-1-methyl-(9ci)151049-87-5 4-Bromo-1-methyl-1H-pyrazole15803-02-8 5-Bromo-2-methyl-1H-imidazole16265-11-5 4-Bromo-1-methyl-1H-imidazole25676-75-9 1H-Pyrazole,5-bromo-1-methyl-(9ci)361476-01-9 3-Bromo-5-methyl-1H-pyrazole57097-81-1

Elsewhere

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