chempirical

2-Propyl-1H-imidazole-4,5-dicarboxylic acid dimethyl ester

C10H14N2O4CAS 124750-59-0226.23 g/mol

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NNHOOOO
Ester

Properties

Molecular formula
C10H14N2O4
Molar mass
226.23 g/mol
Exact mass
226.0954 Da
logP
0.94Crippen estimate
Polar surface area
81.3 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
4

Identifiers

CAS number
124750-59-0
SMILES
CCCC1=NC(=C(N1)C(=O)OC)C(=O)OC
InChIKey
FGBHVVBYDOTMMD-UHFFFAOYSA-N
InChI
InChI=1S/C10H14N2O4/c1-4-5-6-11-7(9(13)15-2)8(12-6)10(14)16-3/h4-5H2,1-3H3,(H,11,12)

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Names and synonyms

1 names
  • Dimethyl 2-propyl-1H-imidazole-4,5-dicarboxylate

Work with 2-Propyl-1H-imidazole-4,5-dicarboxylic acid dimethyl ester

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

Diethyl 2-propylimidazole-4,5-dicarboxylate144689-94-168 % similar 2-Propyl-1H-imidazole-4,5-dicarboxylic acid58954-23-752 % similar Ethyl 4-(1-hydroxy-1-methylethyl)-2-propyl-1H-imidazole-5-carboxylate144689-93-045 % similar 4,5-Dimethyl 1H-imidazole-4,5-dicarboxylate3304-70-943 % similar 2-Amino-3-(methoxycarbonyl)pyrazine16298-03-636 % similar Methyl 3-chloropyrazine-2-carboxylate27825-21-436 % similar 7-Methyl-2-propyl-1H-benzimidazole-5-carboxylic acid152628-03-036 % similar Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate1458-18-036 % similar

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

Same formula

N,N-Dimethyl-p-phenylenediamine oxalate24631-29-6 Carbidopa28860-95-9 3,4,5-Trimethoxybenzohydrazide3291-03-0 N1,N1-Dimethyl-1,4-benzenediamine ethanedioate (2:1)62778-12-5

Elsewhere

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