4-Bromo-1-methyl-1H-imidazole

C4H5BrN2CAS 25676-75-9161.00 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
logP
1.18Crippen estimate
Polar surface area
17.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 3 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
25676-75-9
SMILES
CN1C=C(N=C1)Br
InChIKey
IOTSLMMLLXTNNH-UHFFFAOYSA-N
InChI
InChI=1S/C4H5BrN2/c1-7-2-4(5)6-3-7/h2-3H,1H3

Weigh it out

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Work with 4-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

4-Iodo-1-methyl-1H-imidazole71759-87-048 % similar 1-Methyl-1H-imidazole-4-carboxylic acid41716-18-144 % similar 1-Methyl-1H-imidazole-4-carbaldehyde17289-26-843 % similar (1-Methyl-1H-imidazol-4-yl)methanamine486414-83-943 % similar 1-Methyl-1H-imidazole-4-carbonitrile66121-69-543 % similar 1-Methyl-1H-imidazol-4-amine hydrochloride89088-69-743 % similar 1-Methyl-1H-imidazole-4-sulfonyl chloride137049-00-439 % similar 1-Methyl-4-nitroimidazole3034-41-139 % 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 2-Bromo-1-methyl-1H-imidazole16681-59-7 1H-Pyrazole,5-bromo-1-methyl-(9ci)361476-01-9 3-Bromo-5-methyl-1H-pyrazole57097-81-1

Elsewhere

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