chempirical

Ethyl 4-(1-hydroxy-1-methylethyl)-2-propyl-1H-imidazole-5-carboxylate

C12H20N2O3CAS 144689-93-0240.30 g/mol

Open in Covalent MOL file
NOOOHNH
AlcoholEster

Properties

Molecular formula
C12H20N2O3
Molar mass
240.30 g/mol
Exact mass
240.1474 Da
logP
1.77Crippen estimate
Polar surface area
75.2 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
5

Identifiers

CAS number
144689-93-0
SMILES
CCCc1nc(C(=O)OCC)c(C(C)(C)O)[nH]1
InChIKey
KZBJJAFGNMRRHN-UHFFFAOYSA-N
InChI
InChI=1S/C12H20N2O3/c1-5-7-8-13-9(11(15)17-6-2)10(14-8)12(3,4)16/h16H,5-7H2,1-4H3,(H,13,14)

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Names and synonyms

6 names
  • 1H-Imidazole-5-carboxylic acid, 4-(1-hydroxy-1-methylethyl)-2-propyl-, ethyl ester
  • 1H-Imidazole-4-carboxylic acid, 5-(1-hydroxy-1-methylethyl)-2-propyl-, ethyl ester
  • 2-Propyl-5-(1-hydroxy-1-methylethyl)-3H-imidazole-4-carboxylic acid ethyl ester
  • Ethyl 4-(1-hydroxy-1-methylethyl)-2-propylimidazole-5-carboxylate
  • 4-(1-Hydroxy-1-methylethyl)-2-propylimidazole-5-carboxylic acid ethyl ester
  • Ethyl 4-(2-hydroxypropan-2-yl)-2-propyl-1H-imidazole-5-carboxylate

Work with Ethyl 4-(1-hydroxy-1-methylethyl)-2-propyl-1H-imidazole-5-carboxylate

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-dicarboxylate144689-94-163 % similar 2-Propyl-1H-imidazole-4,5-dicarboxylic acid dimethyl ester124750-59-045 % similar 2-Propyl-1H-imidazole-4,5-dicarboxylic acid58954-23-741 % similar Ethyl 5-bromo-6-methyl-2-oxo-1H-pyrazine-3-carboxylate1269026-22-337 % similar Diethyl 2,6-pyridinedicarboxylate15658-60-334 % similar Ethyl 3-indazolecarboxylate4498-68-434 % similar Ethyl 2,4-dimethyl-5-thiazolecarboxylate7210-77-733 % similar Ethyl 4-(1-hydroxy-1-methylethyl)-2-propyl-1-[[2′-[1-(triphenylmethyl)-1H-tetrazol-5-yl][1,1′-biphenyl]-4-yl]methyl]-1H-imidazole-5-carboxylate144690-33-533 % similar

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

Same formula

tert-Butyl 6-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate1194376-44-7

Elsewhere

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