5-methyl-5-(1-{[1-(propan-2-yl)-1H-1,3-benzodiazol-2-yl]methyl}piperidin-4-yl)imidazolidine-2,4-dione

• ChemBase ID: 600215
• Molecular Formular: C20H27N5O2
• Molecular Mass: 369.46068
• Monoisotopic Mass: 369.21647513
• SMILES: c1(n(c2c(n1)cccc2)C(C)C)CN1CCC(C2(C(=O)NC(=O)N2)C)CC1
• Canonical SMILES: O=C1NC(=O)C(N1)(C)C1CCN(CC1)Cc1nc2c(n1C(C)C)cccc2
• InChI: InChI=1S/C20H27N5O2/c1-13(2)25-16-7-5-4-6-15(16)21-17(25)12-24-10-8-14(9-11-24)20(3)18(26)22-19(27)23-20/h4-7,13-14H,8-12H2,1-3H3,(H2,22,23,26,27)
• InChIKey: YHTIQEQSNCMTBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-5-(1-{[1-(propan-2-yl)-1H-1,3-benzodiazol-2-yl]methyl}piperidin-4-yl)imidazolidine-2,4-dione
• IUPAC Traditional name: 5-{1-[(1-isopropyl-1,3-benzodiazol-2-yl)methyl]piperidin-4-yl}-5-methylimidazolidine-2,4-dione
• Synonyms: 5-{1-[(1-isopropyl-1H-benzimidazol-2-yl)methyl]piperidin-4-yl}-5-methylimidazolidine-2,4-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.18057
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.31238198
• LogD (pH = 7.4): 1.3556991
• Log P: 1.7628654
• Molar Refractivity: 102.688 cm^3
• Polarizability: 40.985943 Å^3
• Polar Surface Area: 79.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.81
• LOG S: -4.29
• Polar Surface Area: 79.26 Å^2
• Rotatable Bonds: 4