(9aR)-1-benzyl-7,9,9,9a-tetramethyl-1H,2H,3H,9H,9aH-imidazolidino[1,2-a]indol-2-one

• ChemBase ID: 184547
• Molecular Formular: C21H24N2O
• Molecular Mass: 320.42806
• Monoisotopic Mass: 320.1888634
• SMILES: [C@@]12(N(C(=O)CN1c1c(C2(C)C)cc(cc1)C)Cc1ccccc1)C
• Canonical SMILES: Cc1ccc2c(c1)C(C)(C)[C@@]1(N2CC(=O)N1Cc1ccccc1)C
• InChI: InChI=1S/C21H24N2O/c1-15-10-11-18-17(12-15)20(2,3)21(4)22(18)14-19(24)23(21)13-16-8-6-5-7-9-16/h5-12H,13-14H2,1-4H3/t21-/m1/s1
• InChIKey: MKPBDWUHVCSHSY-OAQYLSRUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (9aR)-1-benzyl-7,9,9,9a-tetramethyl-1H,2H,3H,9H,9aH-imidazolidino[1,2-a]indol-2-one
• IUPAC Traditional name: (9aR)-1-benzyl-7,9,9,9a-tetramethyl-3H-imidazolidino[1,2-a]indol-2-one

Database IDs

• PubChem SID: 164240457
• PubChem CID: 6924097

CALCULATED PROPERTIES

• Acid pKa: 18.239971
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.622855
• LogD (pH = 7.4): 4.622855
• Log P: 4.622855
• Molar Refractivity: 97.8103 cm^3
• Polarizability: 37.322525 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds