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

C₄H₅BrN₂CAS 16265-11-5161.00 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed25% of notifiers
H315 Causes skin irritation75% of notifiers
H319 Causes serious eye irritation75% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

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-1H-imidazole-4-carboxaldehyde35034-22-143 % 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 2-Methyl-1,4-dihydropyrimidin-4-one19875-04-835 % 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 2-Bromo-1-methyl-1H-imidazole16681-59-7 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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