chempirical

1H-Imidazole-5-carboxylic acid

C4H4N2O2CAS 1072-84-0112.09 g/mol

Open in Covalent MOL file
OHONHN
Carboxylic acid

Properties

Molecular formula
C4H4N2O2
Molar mass
112.09 g/mol
Exact mass
112.0273 Da
Melting point
275 °C
logP
0.11Crippen estimate
Polar surface area
66.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
1072-84-0
SMILES
O=C(O)c1cnc[nH]1
InChIKey
NKWCGTOZTHZDHB-UHFFFAOYSA-N
InChI
InChI=1S/C4H4N2O2/c7-4(8)3-1-5-2-6-3/h1-2H,(H,5,6)(H,7,8)

Weigh it out

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

Names and synonyms

7 names
  • Imidazole-4-carboxylic acid
  • 1H-Imidazole-4-carboxylic acid
  • Imidazole-4(or 5)-carboxylic acid
  • 4-Carboxyimidazole
  • Imidazole-5-carboxylic acid
  • NSC 32340
  • 1H-Imidazol-3-ium-4-carboxylate

Work with 1H-Imidazole-5-carboxylic 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

5-Pyrimidinecarboxylic acid4595-61-350 % similar Pyrrole-2-carboxylic acid634-97-945 % similar 1H-Imidazole-5-acetic acid645-65-844 % similar Pyrazole-3,5-dicarboxylic acid3112-31-044 % similar 1,2,4-Triazole-3-carboxylic acid4928-87-444 % similar Dinicotinic acid499-81-043 % similar 5-Hydroxypyrazine-2-carboxylic acid34604-60-943 % similar Imidazole-4,5-dicarboxylic acid570-22-942 % similar

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

Same formula

4,6-Dihydroxypyrimidine1193-24-4 Maleic hydrazide123-33-1 1H-Imidazole-2-carboxylic acid16042-25-4 Pyrazole-4-carboxylic acid37718-11-9 Uracil66-22-8

Elsewhere

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