7-ethyl-9a-[(E)-2-(4-methoxyphenyl)ethenyl]-9,9-dimethyl-1H,2H,3H,9H,9aH-imidazolidino[1,2-a]indol-2-one

• ChemBase ID: 207726
• Molecular Formular: C23H26N2O2
• Molecular Mass: 362.46474
• Monoisotopic Mass: 362.19942808
• SMILES: [C@]12(N(c3c(C1(C)C)cc(cc3)CC)CC(=O)N2)/C=C/c1ccc(cc1)OC
• Canonical SMILES: CCc1ccc2c(c1)C(C)(C)[C@]1(N2CC(=O)N1)/C=C/c1ccc(cc1)OC
• InChI: InChI=1S/C23H26N2O2/c1-5-16-8-11-20-19(14-16)22(2,3)23(24-21(26)15-25(20)23)13-12-17-6-9-18(27-4)10-7-17/h6-14H,5,15H2,1-4H3,(H,24,26)/b13-12+/t23-/m1/s1
• InChIKey: LCOZWBRWQRCCNM-MDRMPYQZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-ethyl-9a-[(E)-2-(4-methoxyphenyl)ethenyl]-9,9-dimethyl-1H,2H,3H,9H,9aH-imidazolidino[1,2-a]indol-2-one
• IUPAC Traditional name: 7-ethyl-9a-[(E)-2-(4-methoxyphenyl)ethenyl]-9,9-dimethyl-1H,3H-imidazolidino[1,2-a]indol-2-one

Database IDs

• PubChem SID: 164263636
• PubChem CID: 1780713

CALCULATED PROPERTIES

• Acid pKa: 11.049978
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 5.282235
• LogD (pH = 7.4): 5.2821503
• Log P: 5.282236
• Molar Refractivity: 109.3822 cm^3
• Polarizability: 41.5048 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds