chempirical

1H-Imidazole-2-carboxylic acid

C4H4N2O2CAS 16042-25-4112.09 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
163–164 °C (decomposes)
logP
0.11Crippen estimate
Polar surface area
66.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
16042-25-4
SMILES
O=C(O)c1ncc[nH]1
InChIKey
KYWMCFOWDYFYLV-UHFFFAOYSA-N
InChI
InChI=1S/C4H4N2O2/c7-4(8)3-5-1-2-6-3/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

2 names
  • Imidazole-2-carboxylic acid
  • 2-Imidazocarboxylic acid

Work with 1H-Imidazole-2-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

4-(1H-Imidazol-2-yl)benzoic Acid108035-45-653 % similar 2,3-Pyrazinedicarboxylic acid89-01-046 % similar 4-Pyrimidinecarboxylic acid31462-59-642 % similar Imidazole-4,5-dicarboxylic acid570-22-942 % similar 2,5-Pyrazinedicarboxylic acid122-05-441 % similar Pyrrole-2-carboxylic acid634-97-941 % similar 5-Pyrimidinecarboxylic acid4595-61-340 % similar 1H-Pyrrolo[2,3-B]pyridine-5-carboxylic acid754214-42-139 % similar

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

Same formula

1H-Imidazole-5-carboxylic acid1072-84-0 4,6-Dihydroxypyrimidine1193-24-4 Maleic hydrazide123-33-1 Pyrazole-4-carboxylic acid37718-11-9 Uracil66-22-8

Elsewhere

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