(9bS)-5-oxo-N,9b-diphenyl-1H,2H,3H,5H,9bH-imidazolidino[2,1-a]isoindole-1-carboxamide

• ChemBase ID: 188970
• Molecular Formular: C23H19N3O2
• Molecular Mass: 369.41586
• Monoisotopic Mass: 369.14772686
• SMILES: [C@@]12(N(C(=O)c3c2cccc3)CCN1C(=O)Nc1ccccc1)c1ccccc1
• Canonical SMILES: O=C(N1CCN2[C@]1(c1ccccc1)c1ccccc1C2=O)Nc1ccccc1
• InChI: InChI=1S/C23H19N3O2/c27-21-19-13-7-8-14-20(19)23(17-9-3-1-4-10-17)25(21)15-16-26(23)22(28)24-18-11-5-2-6-12-18/h1-14H,15-16H2,(H,24,28)/t23-/m0/s1
• InChIKey: WYJHFQAMKUBJST-QHCPKHFHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (9bS)-5-oxo-N,9b-diphenyl-1H,2H,3H,5H,9bH-imidazolidino[2,1-a]isoindole-1-carboxamide
• IUPAC Traditional name: (9bS)-5-oxo-N,9b-diphenyl-2H,3H-imidazolidino[2,1-a]isoindole-1-carboxamide

Database IDs

• PubChem SID: 164244880
• PubChem CID: 1427570

CALCULATED PROPERTIES

• Acid pKa: 13.20818
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.2888365
• LogD (pH = 7.4): 4.288836
• Log P: 4.2888365
• Molar Refractivity: 108.3953 cm^3
• Polarizability: 40.574955 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds