chempirical

Imidazole-4,5-dicarboxylic acid

C5H4N2O4CAS 570-22-9156.10 g/mol

Open in Covalent MOL file
OHONHNOHO
Carboxylic acid

Properties

Molecular formula
C5H4N2O4
Molar mass
156.10 g/mol
Exact mass
156.0171 Da
Density
0.2 g/mL
Melting point
288 °C
logP
-0.19Crippen estimate
Polar surface area
103.3 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
2

Identifiers

CAS number
570-22-9
SMILES
O=C(O)c1nc[nH]c1C(=O)O
InChIKey
ZEVWQFWTGHFIDH-UHFFFAOYSA-N
InChI
InChI=1S/C5H4N2O4/c8-4(9)2-3(5(10)11)7-1-6-2/h1H,(H,6,7)(H,8,9)(H,10,11)

Weigh it out

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

Names and synonyms

6 names
  • 1H-Imidazole-4,5-dicarboxylic acid
  • 4,5-Glyoxalinedicarboxylic acid
  • 4,5-Dicarboxyimidazole
  • α,β-Imidazoledicarboxylic acid
  • NSC 9236
  • 4,5-Imidazoledicarboxylic acid

Work with Imidazole-4,5-dicarboxylic acid

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

2,3-Pyrazinedicarboxylic acid89-01-050 % similar 3-Amino-2-pyrazinecarboxylic acid5424-01-145 % similar Benzimidazole-5,6-dicarboxylic acid10351-75-444 % similar 1H-Imidazole-5-carboxylic acid1072-84-042 % similar 1H-Imidazole-2-carboxylic acid16042-25-442 % similar 1,2,4-Triazole-3-carboxylic acid4928-87-442 % similar 1H-Benzimidazole-5-carboxylic acid15788-16-642 % similar 4,5-Dimethyl 1H-imidazole-4,5-dicarboxylate3304-70-942 % similar

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

Same formula

1,2,3,4-Tetrahydro-2,4-dioxo-5-pyrimidinecarboxylic acid23945-44-0 Pyrazole-3,5-dicarboxylic acid3112-31-0 4-Hydroxy-3-nitropyridine N-oxide31872-57-8 Orotic acid65-86-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook