1-[4-(2-{2,7-diazaspiro[4.5]decan-7-yl}-2-oxoethyl)phenyl]imidazolidin-2-one

• ChemBase ID: 571197
• Molecular Formular: C19H26N4O2
• Molecular Mass: 342.43534
• Monoisotopic Mass: 342.20557609
• SMILES: C1(=O)N(c2ccc(CC(=O)N3CC4(CNCC4)CCC3)cc2)CCN1
• Canonical SMILES: O=C(N1CCCC2(C1)CCNC2)Cc1ccc(cc1)N1CCNC1=O
• InChI: InChI=1S/C19H26N4O2/c24-17(22-10-1-6-19(14-22)7-8-20-13-19)12-15-2-4-16(5-3-15)23-11-9-21-18(23)25/h2-5,20H,1,6-14H2,(H,21,25)
• InChIKey: VNWGZQYOAHPPQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(2-{2,7-diazaspiro[4.5]decan-7-yl}-2-oxoethyl)phenyl]imidazolidin-2-one
• IUPAC Traditional name: 1-[4-(2-{2,7-diazaspiro[4.5]decan-7-yl}-2-oxoethyl)phenyl]imidazolidin-2-one
• Synonyms: 1-{4-[2-(2,7-diazaspiro[4.5]dec-7-yl)-2-oxoethyl]phenyl}imidazolidin-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.585348
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.0032701
• LogD (pH = 7.4): -2.8565645
• Log P: 0.23652
• Molar Refractivity: 96.0514 cm^3
• Polarizability: 37.148792 Å^3
• Polar Surface Area: 64.68 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.07
• LOG S: -3.07
• Polar Surface Area: 64.68 Å^2
• Rotatable Bonds: 3