2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)methyl]acetamide

• ChemBase ID: 323914
• Molecular Formular: C17H21N5O4
• Molecular Mass: 359.37974
• Monoisotopic Mass: 359.15935418
• SMILES: N1(C(=O)NC(C1=O)(C)C)CC(=O)NCc1cc2n(c(=O)n(c2cc1)C)C
• Canonical SMILES: O=C(CN1C(=O)NC(C1=O)(C)C)NCc1ccc2c(c1)n(C)c(=O)n2C
• InChI: InChI=1S/C17H21N5O4/c1-17(2)14(24)22(15(25)19-17)9-13(23)18-8-10-5-6-11-12(7-10)21(4)16(26)20(11)3/h5-7H,8-9H2,1-4H3,(H,18,23)(H,19,25)
• InChIKey: BTDUDHQQDIDTBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)methyl]acetamide
• IUPAC Traditional name: 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1,3-dimethyl-2-oxo-1,3-benzodiazol-5-yl)methyl]acetamide
• Synonyms: 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.231237
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.34366286
• LogD (pH = 7.4): -0.34372538
• Log P: -0.34366205
• Molar Refractivity: 92.7347 cm^3
• Polarizability: 35.177647 Å^3
• Polar Surface Area: 102.06 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: -0.25
• LOG S: -2.92
• Polar Surface Area: 105.44 Å^2
• Rotatable Bonds: 4