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

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

1,1'-Dimethyl-1H,1'H-[2,2']biimidazolyl37570-94-848 % similar 1,2-Dimethylimidazole1739-84-045 % similar 2-Bromo-1-methyl-1H-imidazole16681-59-743 % similar 2-Chloro-1-methyl-1H-imidazole253453-91-743 % similar 2-Iodo-1-methyl-1H-imidazole37067-95-143 % similar Methimazole60-56-043 % similar 1-Methyl-1H-imidazol-2-amine6646-51-143 % similar 1-Methyl-1H-pyrrole-2-carboxaldehyde1192-58-142 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Methyl-1H-pyrazole-4-carbaldehyde112758-40-4 6-Methylpyridazin-3(2H)-one13327-27-0 3-Hydroxypentanedinitrile13880-89-2 2-Aminopyridine N-oxide14150-95-9 4-Methylpyrimidin-2-ol hydrochloride15231-48-8 2-Amino-3-hydroxypyridine16867-03-1 1-Methyl-1H-imidazole-4-carbaldehyde17289-26-8 5-Methylpyrimidin-4-ol17758-52-0

Elsewhere

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