3-(2,3-dihydro-1H-inden-2-yl)-5-methyl-5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione

• ChemBase ID: 340768
• Molecular Formular: C24H28N4O2
• Molecular Mass: 404.50472
• Monoisotopic Mass: 404.22122616
• SMILES: N1(C(=O)NC(C1=O)(C1CCN(Cc2ncccc2)CC1)C)C1Cc2c(C1)cccc2
• Canonical SMILES: O=C1NC(C(=O)N1C1Cc2c(C1)cccc2)(C)C1CCN(CC1)Cc1ccccn1
• InChI: InChI=1S/C24H28N4O2/c1-24(19-9-12-27(13-10-19)16-20-8-4-5-11-25-20)22(29)28(23(30)26-24)21-14-17-6-2-3-7-18(17)15-21/h2-8,11,19,21H,9-10,12-16H2,1H3,(H,26,30)
• InChIKey: CHNHKVJRWQOKCJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,3-dihydro-1H-inden-2-yl)-5-methyl-5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione
• IUPAC Traditional name: 3-(2,3-dihydro-1H-inden-2-yl)-5-methyl-5-[1-(pyridin-2-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione
• Synonyms: 3-(2,3-dihydro-1H-inden-2-yl)-5-methyl-5-[1-(2-pyridinylmethyl)-4-piperidinyl]-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.492304
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.6844405
• LogD (pH = 7.4): 2.2909129
• Log P: 2.606647
• Molar Refractivity: 114.9514 cm^3
• Polarizability: 44.71527 Å^3
• Polar Surface Area: 65.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.06
• LOG S: -5.18
• Polar Surface Area: 65.54 Å^2
• Rotatable Bonds: 4