chempirical

Imidazole-2-carboxaldehyde

C4H4N2OCAS 10111-08-796.09 g/mol

Open in Covalent MOL file
ONHN
Aldehyde

Properties

Molecular formula
C4H4N2O
Molar mass
96.09 g/mol
Exact mass
96.0324 Da
Melting point
204 °C
logP
0.22Crippen estimate
Polar surface area
45.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 50 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
10111-08-7
SMILES
O=Cc1ncc[nH]1
InChIKey
XYHKNCXZYYTLRG-UHFFFAOYSA-N
InChI
InChI=1S/C4H4N2O/c7-3-4-5-1-2-6-4/h1-3H,(H,5,6)

Weigh it out

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Names and synonyms

6 names
  • 1H-Imidazole-2-carboxaldehyde
  • 2-Formylimidazole
  • 2-Imidazolecarbaldehyde
  • 2-Imidazolylformaldehyde
  • 1H-Imidazole-2-carbaldehyde
  • Imidazole-2-formaldehyde

Reactions

Work with Imidazole-2-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

2,2′-Biimidazole492-98-843 % similar 2-Chloro-1H-imidazole16265-04-638 % similar 1,3-Dihydro-2H-imidazol-2-one5918-93-438 % similar 2-Methylimidazole693-98-138 % similar 2-Imidazolidinethione872-35-538 % similar 3-Methyl-2(1H)-pyrazinone19838-07-437 % similar Pyrrole-2-carboxaldehyde1003-29-836 % similar 1H-Imidazole-2-carboxylic acid16042-25-435 % similar

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

Same formula

Imidazole-4-carboxaldehyde3034-50-2 4-Hydroxypyrimidine4562-27-0 3(2H)-Pyridazinone504-30-3 4(3H)-Pyrimidinone51953-17-4 Pyrimidone557-01-7 2(1H)-Pyrazinone6270-63-9

Elsewhere

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