2-(2,5-dioxoimidazolidin-4-yl)-N-[3-(5-fluoro-1H-1,3-benzodiazol-2-yl)propyl]acetamide

• ChemBase ID: 720817
• Molecular Formular: C15H16FN5O3
• Molecular Mass: 333.3176432
• Monoisotopic Mass: 333.12371762
• SMILES: N1C(=O)NC(C1=O)CC(=O)NCCCc1nc2c([nH]1)ccc(c2)F
• Canonical SMILES: O=C(CC1NC(=O)NC1=O)NCCCc1nc2c([nH]1)ccc(c2)F
• InChI: InChI=1S/C15H16FN5O3/c16-8-3-4-9-10(6-8)19-12(18-9)2-1-5-17-13(22)7-11-14(23)21-15(24)20-11/h3-4,6,11H,1-2,5,7H2,(H,17,22)(H,18,19)(H2,20,21,23,24)
• InChIKey: YNFCDUUULZUKRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.628434
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -0.5953928
• LogD (pH = 7.4): -0.36094555
• Log P: -0.35426104
• Molar Refractivity: 80.8152 cm^3
• Polarizability: 32.03329 Å^3
• Polar Surface Area: 115.98 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 4
• Log P: -0.55
• LOG S: -2.47
• Polar Surface Area: 115.98 Å^2
• Rotatable Bonds: 6