chempirical

Imidapril

C20H27N3O6CAS 89371-37-9405.45 g/mol

Open in Covalent MOL file
OONHONONOHO
AmideCarboxylic acidEsterSecondary amineUrea

Properties

Molecular formula
C20H27N3O6
Molar mass
405.45 g/mol
Exact mass
405.1900 Da
Melting point
139–140 °C
logP
0.88Crippen estimate
Polar surface area
116.3 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
9
Stereocentres
S, S, Sin SMILES atom order

Identifiers

CAS number
89371-37-9
SMILES
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1C(=O)N(C)C[C@H]1C(=O)O
InChIKey
KLZWOWYOHUKJIG-BPUTZDHNSA-N
InChI
InChI=1S/C20H27N3O6/c1-4-29-19(27)15(11-10-14-8-6-5-7-9-14)21-13(2)17(24)23-16(18(25)26)12-22(3)20(23)28/h5-9,13,15-16,21H,4,10-12H2,1-3H3,(H,25,26)/t13-,15-,16-/m0/s1

Weigh it out

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

Names and synonyms

3 names
  • 4-Imidazolidinecarboxylic acid, 3-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1-methyl-2-oxo-, (4S)-
  • 4-Imidazolidinecarboxylic acid, 3-[2-[[1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1-methyl-2-oxo-, [4S-[3[R*(R*)],4R*]]-
  • (4S)-3-[(2S)-2-[[(1S)-1-(Ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1-methyl-2-oxo-4-imidazolidinecarboxylic acid

Work with Imidapril

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

Imidapril hydrochloride89396-94-195 % similar Enalapril75847-73-368 % similar N-[1(S)-Ethoxycarbonyl-3-phenylpropyl]-L-alanine82717-96-266 % similar Quinapril85441-61-865 % similar Ramipril87333-19-564 % similar Trandolapril87679-37-664 % similar Quinapril hydrochloride82586-55-863 % similar Moexipril103775-10-659 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook