4-Bromo-1-methyl-1H-imidazole-5-carboxaldehyde

C₅H₅BrN₂OCAS 141524-74-5189.01 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₅H₅BrN₂O
Molar mass: 189.01 g/mol
Exact mass: 187.9585 Da
logP: 1.00Crippen estimate
Polar surface area: 34.9 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

141524-74-5

SMILES

Cn1cnc(Br)c1C=O

InChIKey

MBLIXONXVCDFMO-UHFFFAOYSA-N

InChI

InChI=1S/C5H5BrN2O/c1-8-3-7-5(6)4(8)2-9/h2-3H,1H3

Weigh it out

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

Names and synonyms

2 names

1H-Imidazole-5-carboxaldehyde, 4-bromo-1-methyl-
4-Bromo-1-methylimidazole-5-carboxaldehyde

Work with 4-Bromo-1-methyl-1H-imidazole-5-carboxaldehyde

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-Bromonicotinaldehyde128071-75-035 % similar 1-Methyl-1H-pyrrole-2-carboxaldehyde1192-58-134 % similar 5-Bromo-1-methyl-1H-imidazole1003-21-031 % similar 2-Bromo-1-methyl-1H-imidazole16681-59-731 % similar 1-Methyl-1H-imidazole-4,5-dicarboxylic acid19485-38-230 % similar 9-Methyladenine700-00-530 % similar

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

Same formula

2-Bromo-5-methoxypyrimidine1209459-99-3 5-Bromo-2-methoxypyrimidine14001-66-2 2-Bromo-5-methoxypyrazine143250-10-6 2-Amino-5-bromo-3-hydroxypyridine39903-01-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook