chempirical

5-Methyl-1H-imidazole-4-carbaldehyde

C5H6N2OCAS 68282-53-1110.12 g/mol

Open in Covalent MOL file
NHNO
Aldehyde

Properties

Molecular formula
C5H6N2O
Molar mass
110.12 g/mol
Exact mass
110.0480 Da
logP
0.53Crippen estimate
Polar surface area
45.8 Ų
H-bond donors / acceptors
1 / 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
68282-53-1
SMILES
CC1=C(N=CN1)C=O
InChIKey
KMWCSNCNHSEXIF-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N2O/c1-4-5(2-8)7-3-6-4/h2-3H,1H3,(H,6,7)

Weigh it out

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Names and synonyms

1 names
  • 4-Methyl-1H-imidazole-5-carbaldehyde

Work with 5-Methyl-1H-imidazole-4-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-(1,1-Dimethylethyl)-1H-imidazole-5-carboxaldehyde714273-83-353 % similar 3-Methyl-2-pyridinecarboxaldehyde55589-47-438 % similar Imidazole-2-carboxaldehyde10111-08-735 % similar 2-Methyl-1H-imidazole-4-carboxaldehyde35034-22-135 % similar 4,6-Dihydroxy-5-formylpyrimidine14256-99-635 % similar 1H-Benzimidazole-6-carboxaldehyde58442-17-435 % similar Imidazole-4-carboxaldehyde3034-50-234 % similar 4-Amino-6-chloro-5-pyrimidinecarboxaldehyde14160-93-134 % similar

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

Same formula

3-Methyl-1H-pyrazole-4-carbaldehyde112758-40-4 6-Methyl-3(2H)-pyridazinone13327-27-0 1-Methyl-2-imidazolecarboxaldehyde13750-81-7 3-Hydroxypentanedinitrile13880-89-2 2-Aminopyridine N-oxide14150-95-9 4-Methylpyrimidin-2-ol hydrochloride15231-48-8 2-Amino-3-hydroxypyridine16867-03-1 1-Methyl-1H-imidazole-4-carbaldehyde17289-26-8

Elsewhere

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