(9bR)-9b-(4-chlorophenyl)-1H,2H,3H,5H,9bH-imidazolidino[2,1-a]isoindol-5-one

• ChemBase ID: 189004
• Molecular Formular: C16H13ClN2O
• Molecular Mass: 284.74022
• Monoisotopic Mass: 284.07164073
• SMILES: N12[C@](c3c(C1=O)cccc3)(NCC2)c1ccc(cc1)Cl
• Canonical SMILES: Clc1ccc(cc1)[C@]12NCCN2C(=O)c2c1cccc2
• InChI: InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16-14-4-2-1-3-13(14)15(20)19(16)10-9-18-16/h1-8,18H,9-10H2/t16-/m1/s1
• InChIKey: WUFFYAFXNGRHNO-MRXNPFEDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (9bR)-9b-(4-chlorophenyl)-1H,2H,3H,5H,9bH-imidazolidino[2,1-a]isoindol-5-one
• IUPAC Traditional name: (9bR)-9b-(4-chlorophenyl)-1H,2H,3H-imidazolidino[2,1-a]isoindol-5-one

Database IDs

• PubChem SID: 164244914
• PubChem CID: 752308

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6497657
• LogD (pH = 7.4): 3.3522136
• Log P: 3.37524
• Molar Refractivity: 78.5024 cm^3
• Polarizability: 30.192886 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds