chempirical

4-Iodo-1-methyl-1H-imidazole-5-carbaldehyde

C5H5IN2OCAS 189014-13-9236.01 g/mol

Open in Covalent MOL file
NNOI
AldehydeAryl halide

Properties

Molecular formula
C5H5IN2O
Molar mass
236.01 g/mol
Exact mass
235.9447 Da
logP
0.84Crippen estimate
Polar surface area
34.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
189014-13-9
SMILES
CN1C=NC(=C1C=O)I
InChIKey
JMQLLAOXIUEEBR-UHFFFAOYSA-N
InChI
InChI=1S/C5H5IN2O/c1-8-3-7-5(6)4(8)2-9/h2-3H,1H3

Weigh it out

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Names and synonyms

1 names
  • 4-Iodo-1-methyl-1H-imidazole-5-carboxaldehyde

Work with 4-Iodo-1-methyl-1H-imidazole-5-carbaldehyde

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-carbaldehyde141524-74-558 % similar 1-Methyl-1H-imidazole-5-carbaldehyde39021-62-044 % similar 1-Methyl-2-imidazolecarboxaldehyde13750-81-740 % similar 1-Methyl-1H-imidazole-4-carbaldehyde17289-26-836 % similar 5-Iodo-1-methyl-1H-imidazole71759-88-135 % similar 1-Methyl-1H-pyrrole-2-carboxaldehyde1192-58-134 % similar 1-Methyl-1H-pyrazole-4-carboxaldehyde25016-11-933 % similar 2-Methyl-1H-imidazole-4-carboxaldehyde35034-22-132 % similar

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

Elsewhere

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