9a-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-7-ethyl-9,9-dimethyl-1H,2H,3H,9H,9aH-imidazolidino[1,2-a]indol-2-one

• ChemBase ID: 205848
• Molecular Formular: C24H28N2O3
• Molecular Mass: 392.49072
• Monoisotopic Mass: 392.20999277
• SMILES: [C@]12(N(c3c(C1(C)C)cc(cc3)CC)CC(=O)N2)/C=C/c1c(c(OC)ccc1)OC
• Canonical SMILES: CCc1ccc2c(c1)C(C)(C)[C@]1(N2CC(=O)N1)/C=C/c1cccc(c1OC)OC
• InChI: InChI=1S/C24H28N2O3/c1-6-16-10-11-19-18(14-16)23(2,3)24(25-21(27)15-26(19)24)13-12-17-8-7-9-20(28-4)22(17)29-5/h7-14H,6,15H2,1-5H3,(H,25,27)/b13-12+/t24-/m1/s1
• InChIKey: KBDGACIYCOAQKV-JHUUHBRDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9a-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-7-ethyl-9,9-dimethyl-1H,2H,3H,9H,9aH-imidazolidino[1,2-a]indol-2-one
• IUPAC Traditional name: 9a-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-7-ethyl-9,9-dimethyl-1H,3H-imidazolidino[1,2-a]indol-2-one

Database IDs

• PubChem SID: 164261758
• PubChem CID: 1775101

CALCULATED PROPERTIES

• Acid pKa: 10.911421
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 5.1245637
• LogD (pH = 7.4): 5.1244464
• Log P: 5.124565
• Molar Refractivity: 115.8454 cm^3
• Polarizability: 44.016422 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds