Imidazole-4-carboxaldehyde

C4H4N2OCAS 3034-50-296.09 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
173–174 °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
3034-50-2
SMILES
O=Cc1cnc[nH]1
InChIKey
ZQEXIXXJFSQPNA-UHFFFAOYSA-N
InChI
InChI=1S/C4H4N2O/c7-2-4-1-5-3-6-4/h1-3H,(H,5,6)

Weigh it out

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

Names and synonyms

13 names · show all
  • 1H-Imidazole-5-carboxaldehyde
  • 1H-Imidazole-4-carboxaldehyde
  • Imidazole-4(or 5)-carboxaldehyde
  • 4-Formylimidazole
  • 4(5)-Imidazolecarboxaldehyde
  • 1H-Imidazol-4-ylcarboxaldehyde
  • 3H-Imidazole-4-carboxaldehyde
  • 5-Imidazolecarboxaldehyde
  • NSC 400521
  • 1H-Imidazol-4-carboxaldehyde
  • 1H-Imidazol-5-carboxaldehyde
  • 1H-Imidazole-5-carbaldehyde
  • 1H-Imidazole-4-carbaldehyde

Work with Imidazole-4-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

Urocanic acid104-98-345 % similar Pyrrole-2-carboxaldehyde1003-29-839 % similar 2-Methyl-1H-imidazole-4-carboxaldehyde35034-22-139 % similar Pyrimidine-5-carboxaldehyde10070-92-537 % similar 5-Chloro-1H-imidazole15965-31-837 % similar 4-Bromoimidazole2302-25-237 % similar 4-Fluoroimidazole30086-17-037 % similar 4-Iodo-1H-imidazole71759-89-237 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Imidazole-2-carboxaldehyde10111-08-7 Pyrimidin-5-ol26456-59-7 1H-Pyrazole-4-carbaldehyde35344-95-7 1H-Pyrazole-3-carbaldehyde3920-50-1 4-Hydroxypyrimidine4562-27-0 3(2H)-Pyridazinone504-30-3 4(3H)-Pyrimidinone51953-17-4 4-Pyrimidinol51953-18-5

Elsewhere

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