4-(2,4-dioxoimidazolidin-1-yl)-N-[1-(4-methylpyridin-2-yl)propyl]benzamide

• ChemBase ID: 588313
• Molecular Formular: C19H20N4O3
• Molecular Mass: 352.3871
• Monoisotopic Mass: 352.15354052
• SMILES: C1(=O)NC(=O)CN1c1ccc(C(=O)NC(c2nccc(c2)C)CC)cc1
• Canonical SMILES: CCC(c1nccc(c1)C)NC(=O)c1ccc(cc1)N1CC(=O)NC1=O
• InChI: InChI=1S/C19H20N4O3/c1-3-15(16-10-12(2)8-9-20-16)21-18(25)13-4-6-14(7-5-13)23-11-17(24)22-19(23)26/h4-10,15H,3,11H2,1-2H3,(H,21,25)(H,22,24,26)
• InChIKey: KXEZGRGKPOTEAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,4-dioxoimidazolidin-1-yl)-N-[1-(4-methylpyridin-2-yl)propyl]benzamide
• IUPAC Traditional name: 4-(2,4-dioxoimidazolidin-1-yl)-N-[1-(4-methylpyridin-2-yl)propyl]benzamide
• Synonyms: 4-(2,4-dioxo-1-imidazolidinyl)-N-[1-(4-methyl-2-pyridinyl)propyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.064519
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.6214775
• LogD (pH = 7.4): 1.6884465
• Log P: 1.698711
• Molar Refractivity: 95.6881 cm^3
• Polarizability: 36.365677 Å^3
• Polar Surface Area: 91.4 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: 1.18
• LOG S: -1.48
• Polar Surface Area: 91.4 Å^2
• Rotatable Bonds: 5