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

• ChemBase ID: 510586
• Molecular Formular: C20H26N4OS
• Molecular Mass: 370.51164
• Monoisotopic Mass: 370.18273247
• SMILES: N1(C(=O)NCC1)c1cc(N2CCC(N(Cc3sccc3)C)CC2)ccc1
• Canonical SMILES: CN(C1CCN(CC1)c1cccc(c1)N1CCNC1=O)Cc1cccs1
• InChI: InChI=1S/C20H26N4OS/c1-22(15-19-6-3-13-26-19)16-7-10-23(11-8-16)17-4-2-5-18(14-17)24-12-9-21-20(24)25/h2-6,13-14,16H,7-12,15H2,1H3,(H,21,25)
• InChIKey: FSDRYNLVSUCNFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-{4-[methyl(thiophen-2-ylmethyl)amino]piperidin-1-yl}phenyl)imidazolidin-2-one
• IUPAC Traditional name: 1-(3-{4-[methyl(thiophen-2-ylmethyl)amino]piperidin-1-yl}phenyl)imidazolidin-2-one
• Synonyms: 1-(3-{4-[methyl(2-thienylmethyl)amino]-1-piperidinyl}phenyl)-2-imidazolidinone

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.585083
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.78255635
• LogD (pH = 7.4): 0.6032912
• Log P: 2.5658324
• Molar Refractivity: 107.0235 cm^3
• Polarizability: 40.525913 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: 2.34
• LOG S: -3.9
• Polar Surface Area: 38.82 Å^2
• Rotatable Bonds: 5