7,9,9-trimethyl-9a-[(E)-2-[4-(propan-2-yl)phenyl]ethenyl]-1H,2H,3H,9H,9aH-imidazolidino[1,2-a]indol-2-one

• ChemBase ID: 207903
• Molecular Formular: C24H28N2O
• Molecular Mass: 360.49192
• Monoisotopic Mass: 360.22016353
• SMILES: C12(N(c3c(C1(C)C)cc(cc3)C)CC(=O)N2)/C=C/c1ccc(cc1)C(C)C
• Canonical SMILES: O=C1CN2C(N1)(/C=C/c1ccc(cc1)C(C)C)C(c1c2ccc(c1)C)(C)C
• InChI: InChI=1S/C24H28N2O/c1-16(2)19-9-7-18(8-10-19)12-13-24-23(4,5)20-14-17(3)6-11-21(20)26(24)15-22(27)25-24/h6-14,16H,15H2,1-5H3,(H,25,27)/b13-12+
• InChIKey: FYDHLVJROOYLRV-OUKQBFOZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7,9,9-trimethyl-9a-[(E)-2-[4-(propan-2-yl)phenyl]ethenyl]-1H,2H,3H,9H,9aH-imidazolidino[1,2-a]indol-2-one
• IUPAC Traditional name: 9a-[(E)-2-(4-isopropylphenyl)ethenyl]-7,9,9-trimethyl-1H,3H-imidazolidino[1,2-a]indol-2-one

Database IDs

• PubChem SID: 164263813
• PubChem CID: 6216542

CALCULATED PROPERTIES

• Acid pKa: 11.326491
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 6.2403474
• LogD (pH = 7.4): 6.2403026
• Log P: 6.240348
• Molar Refractivity: 112.5088 cm^3
• Polarizability: 42.619354 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds