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

C₄H₅BrN₂CAS 1003-21-0161.00 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₅BrN₂
Molar mass: 161.00 g/mol
Exact mass: 159.9636 Da
logP: 1.18Crippen estimate
Polar surface area: 17.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation95.7% of notifiers
H319 Causes serious eye irritation95.7% of notifiers
H335 May cause respiratory irritation93.5% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

1003-21-0

SMILES

CN1C=NC=C1Br

InChIKey

HATLLUIOEIXWGD-UHFFFAOYSA-N

InChI

InChI=1S/C4H5BrN2/c1-7-3-6-2-4(7)5/h2-3H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 5-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

5-Chloro-1-methyl-1H-imidazole872-49-156 % similar 5-Iodo-1-methyl-1H-imidazole71759-88-148 % similar 1-Methyl-1H-imidazole-5-carbaldehyde39021-62-043 % similar 1-Methyl-5-aminomethylimidazole486414-86-243 % similar 1-Methyl-1H-imidazole-5-carboxylic acid41806-40-039 % similar 5-Chloro-1-methyl-1H-imidazolium nitrate4531-53-738 % similar Methyl 1-methyl-1H-imidazole-5-carboxylate17289-20-237 % similar 4,5-Dibromo-1-methyl-1H-imidazole1003-50-537 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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 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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