1-[2-methyl-5-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]imidazolidin-2-one

• ChemBase ID: 534584
• Molecular Formular: C23H27N3O2
• Molecular Mass: 377.47938
• Monoisotopic Mass: 377.21032712
• SMILES: N1(C(=O)NCC1)c1cc(C(=O)N2CC(c3ccccc3)(CCC2)C)ccc1C
• Canonical SMILES: O=C1NCCN1c1cc(ccc1C)C(=O)N1CCCC(C1)(C)c1ccccc1
• InChI: InChI=1S/C23H27N3O2/c1-17-9-10-18(15-20(17)26-14-12-24-22(26)28)21(27)25-13-6-11-23(2,16-25)19-7-4-3-5-8-19/h3-5,7-10,15H,6,11-14,16H2,1-2H3,(H,24,28)
• InChIKey: MXKVGIDPCRJUNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-methyl-5-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]imidazolidin-2-one
• IUPAC Traditional name: 1-[2-methyl-5-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]imidazolidin-2-one
• Synonyms: 1-{2-methyl-5-[(3-methyl-3-phenylpiperidin-1-yl)carbonyl]phenyl}imidazolidin-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.584643
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.3321853
• LogD (pH = 7.4): 3.3321855
• Log P: 3.3321855
• Molar Refractivity: 110.661 cm^3
• Polarizability: 41.962917 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.37
• LOG S: -5.04
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 3