4,5-Dibromo-1-methyl-1H-imidazole

C₄H₄Br₂N₂CAS 1003-50-5239.90 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₄Br₂N₂
Molar mass: 239.90 g/mol
Exact mass: 237.8741 Da
logP: 1.95Crippen estimate
Polar surface area: 17.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed97.6% of notifiers
H318 Causes serious eye damage97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, P501

Identifiers

CAS number

1003-50-5

SMILES

CN1C=NC(=C1Br)Br

InChIKey

JGFCQTKCCPQLKP-UHFFFAOYSA-N

InChI

InChI=1S/C4H4Br2N2/c1-8-2-7-3(5)4(8)6/h2H,1H3

Weigh it out

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

Work with 4,5-Dibromo-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-Bromo-1-methyl-1H-imidazole-5-carboxaldehyde141524-74-552 % similar 5-Bromo-1-methyl-1H-imidazole1003-21-037 % similar 2-Bromo-1-methyl-1H-imidazole16681-59-737 % similar 2,4,5-Tribromo-1-methyl-1H-imidazole1003-91-435 % similar 1-Methylbenzimidazole1632-83-334 % similar 1-Methyl-1H-imidazole-4,5-dicarboxylic acid19485-38-231 % similar N1-Methyladenine5142-22-331 % similar 3-Methyladenine5142-23-431 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook