2-(2,5-dioxoimidazolidin-1-yl)-N-{[1-(propan-2-yl)-1H-1,3-benzodiazol-2-yl]methyl}acetamide

• ChemBase ID: 469501
• Molecular Formular: C16H19N5O3
• Molecular Mass: 329.35376
• Monoisotopic Mass: 329.14878949
• SMILES: N1(C(=O)NCC1=O)CC(=O)NCc1n(c2c(n1)cccc2)C(C)C
• Canonical SMILES: O=C(CN1C(=O)NCC1=O)NCc1nc2c(n1C(C)C)cccc2
• InChI: InChI=1S/C16H19N5O3/c1-10(2)21-12-6-4-3-5-11(12)19-13(21)7-17-14(22)9-20-15(23)8-18-16(20)24/h3-6,10H,7-9H2,1-2H3,(H,17,22)(H,18,24)
• InChIKey: MWGNASWDOYUHLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dioxoimidazolidin-1-yl)-N-{[1-(propan-2-yl)-1H-1,3-benzodiazol-2-yl]methyl}acetamide
• IUPAC Traditional name: 2-(2,5-dioxoimidazolidin-1-yl)-N-[(1-isopropyl-1,3-benzodiazol-2-yl)methyl]acetamide
• Synonyms: 2-(2,5-dioxo-1-imidazolidinyl)-N-[(1-isopropyl-1H-benzimidazol-2-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.755343
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.33583558
• LogD (pH = 7.4): -0.25207934
• Log P: -0.25087085
• Molar Refractivity: 85.6605 cm^3
• Polarizability: 34.055668 Å^3
• Polar Surface Area: 96.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.68
• LOG S: -2.18
• Polar Surface Area: 96.33 Å^2
• Rotatable Bonds: 5