chempirical

1H-Imidazole-1-acetic acid

C5H6N2O2CAS 22884-10-2126.11 g/mol

Open in Covalent MOL file
OHONN
Carboxylic acid

Properties

Molecular formula
C5H6N2O2
Molar mass
126.11 g/mol
Exact mass
126.0429 Da
Melting point
268–269 °C (decomposes)
logP
-0.03Crippen estimate
Polar surface area
55.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
22884-10-2
SMILES
O=C(O)Cn1ccnc1
InChIKey
QAFBDRSXXHEXGB-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N2O2/c8-5(9)3-7-2-1-6-4-7/h1-2,4H,3H2,(H,8,9)

Weigh it out

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

Names and synonyms

5 names
  • Imidazole-1-acetic acid
  • Imidazol-1-ylacetic acid
  • 2-(1H-Imidazol-1-yl)acetic acid
  • (1H-Imidazol-1-yl)acetic acid
  • 2-(1H-Imidazol-3-ium-3-yl)acetate

Work with 1H-Imidazole-1-acetic 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

Imidazole-1-ethanol1615-14-144 % similar 1H-Tetrazole-1-acetic acid21732-17-243 % similar 1-Ethylimidazole7098-07-942 % similar Dazoxiben78218-09-441 % similar 1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethanone46503-52-040 % similar Ozagrel82571-53-740 % similar 3,5-Diiodo-4-oxo-1(4H)-pyridineacetic acid101-29-139 % similar 3,5-Dichloro-4-oxo-1(4H)-pyridineacetic acid56187-37-239 % similar

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

Same formula

1-Methyl-1H-imidazole-2-carboxylic acid20485-43-2 2-Furancarboxylic acid hydrazide3326-71-4 5-Methyl-1H-pyrazole-3-carboxylic acid402-61-9 2-Methyl-4,6-pyrimidinedione40497-30-1 1,2-Dihydro-1-methyl-3,6-pyridazinedione5436-01-1 1,2-Dihydro-4-methyl-3,6-pyridazinedione5754-18-7 1-Methyluracil615-77-0 6-Methyluracil626-48-2

Elsewhere

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