chempirical

1-Methyl-2-imidazolecarboxaldehyde

C5H6N2OCAS 13750-81-7110.12 g/mol

Open in Covalent MOL file
NNO
Aldehyde

Properties

Molecular formula
C5H6N2O
Molar mass
110.12 g/mol
Exact mass
110.0480 Da
logP
0.23Crippen estimate
Polar surface area
34.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
13750-81-7
SMILES
CN1C=CN=C1C=O
InChIKey
UEBFLTZXUXZPJO-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N2O/c1-7-3-2-6-5(7)4-8/h2-4H,1H3

Weigh it out

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

Work with 1-Methyl-2-imidazolecarboxaldehyde

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

1,2-Dimethylimidazole1739-84-045 % similar 2-Bromo-1-methyl-1H-imidazole16681-59-743 % similar Methimazole60-56-043 % similar 1-Methyl-1H-pyrrole-2-carboxaldehyde1192-58-142 % similar 4-Bromo-1-methyl-1H-imidazole-5-carboxaldehyde141524-74-540 % similar 1-Methyl-1H-imidazole-2-carboxylic acid20485-43-240 % similar 1-Methyl-1H-pyrazole-5-carboxaldehyde27258-33-935 % similar Imidazo[1,2-A]pyridine-6-carbaldehyde116355-16-935 % 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 3-Hydroxypentanedinitrile13880-89-2 2-Aminopyridine N-oxide14150-95-9 4-Methylpyrimidin-2-ol hydrochloride15231-48-8 2-Amino-3-hydroxypyridine16867-03-1 3-Methoxypyridazine19064-65-4 3-Methyl-2(1H)-pyrazinone19838-07-4

Elsewhere

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