chempirical

1-Methyl-1H-imidazole-2-carboxylic acid

C5H6N2O2CAS 20485-43-2126.11 g/mol

Open in Covalent MOL file
NNOHO
Carboxylic acid

Properties

Molecular formula
C5H6N2O2
Molar mass
126.11 g/mol
Exact mass
126.0429 Da
logP
0.12Crippen estimate
Polar surface area
55.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
20485-43-2
SMILES
Cn1ccnc1C(=O)O
InChIKey
WLDPWZQYAVZTTP-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N2O2/c1-7-3-2-6-4(7)5(8)9/h2-3H,1H3,(H,8,9)

Weigh it out

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

Names and synonyms

4 names
  • 1H-Imidazole-2-carboxylic acid, 1-methyl-
  • Imidazole-2-carboxylic acid, 1-methyl-
  • 1-Methyl-1H-2-imidazolecarboxylic acid
  • 1-Methylimidazole-2-carboxylic acid

Work with 1-Methyl-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

Ethyl 1-methylimidazole-2-carboxylate30148-21-150 % similar 1-Methyl-1H-imidazole-4,5-dicarboxylic acid19485-38-249 % similar 2,3-Pyrazinedicarboxylic acid89-01-047 % similar 1-Methyl-1H-pyrrole-2-carboxylic acid6973-60-046 % similar 1,2-Dimethylimidazole1739-84-041 % similar 3-Methylpicolinic acid4021-07-239 % similar 2-Bromo-1-methyl-1H-imidazole16681-59-739 % similar Methimazole60-56-039 % similar

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

Same formula

1H-Imidazole-1-acetic acid22884-10-2 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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