1-methyl-3-[3-(4-{[(1R)-1-phenylethyl]amino}piperidin-1-yl)phenyl]imidazolidin-2-one

• ChemBase ID: 486596
• Molecular Formular: C23H30N4O
• Molecular Mass: 378.5105
• Monoisotopic Mass: 378.2419616
• SMILES: C1(=O)N(c2cc(N3CCC(N[C@@H](c4ccccc4)C)CC3)ccc2)CCN1C
• Canonical SMILES: O=C1N(C)CCN1c1cccc(c1)N1CCC(CC1)N[C@@H](c1ccccc1)C
• InChI: InChI=1S/C23H30N4O/c1-18(19-7-4-3-5-8-19)24-20-11-13-26(14-12-20)21-9-6-10-22(17-21)27-16-15-25(2)23(27)28/h3-10,17-18,20,24H,11-16H2,1-2H3/t18-/m1/s1
• InChIKey: QJIZFPGENPQJFR-GOSISDBHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-3-[3-(4-{[(1R)-1-phenylethyl]amino}piperidin-1-yl)phenyl]imidazolidin-2-one
• IUPAC Traditional name: 1-methyl-3-[3-(4-{[(1R)-1-phenylethyl]amino}piperidin-1-yl)phenyl]imidazolidin-2-one
• Synonyms: 1-methyl-3-[3-(4-{[(1R)-1-phenylethyl]amino}piperidin-1-yl)phenyl]imidazolidin-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.3005325
• LogD (pH = 7.4): 0.53479594
• Log P: 2.910154
• Molar Refractivity: 114.1544 cm^3
• Polarizability: 43.729435 Å^3
• Polar Surface Area: 38.82 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.07
• LOG S: -4.58
• Polar Surface Area: 38.82 Å^2
• Rotatable Bonds: 5