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

• ChemBase ID: 661012
• Molecular Formular: C16H18FN5O3
• Molecular Mass: 347.3442232
• Monoisotopic Mass: 347.13936768
• SMILES: N1(C(=O)NCC1=O)CC(=O)N(CCc1nc2c([nH]1)ccc(c2)F)CC
• Canonical SMILES: CCN(C(=O)CN1C(=O)CNC1=O)CCc1[nH]c2c(n1)cc(cc2)F
• InChI: InChI=1S/C16H18FN5O3/c1-2-21(15(24)9-22-14(23)8-18-16(22)25)6-5-13-19-11-4-3-10(17)7-12(11)20-13/h3-4,7H,2,5-6,8-9H2,1H3,(H,18,25)(H,19,20)
• InChIKey: FJKVITNPEOOGLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.7156105
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.517781
• LogD (pH = 7.4): -0.2916557
• Log P: -0.2877312
• Molar Refractivity: 86.1575 cm^3
• Polarizability: 33.860027 Å^3
• Polar Surface Area: 98.4 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.21
• LOG S: -3.22
• Polar Surface Area: 98.4 Å^2
• Rotatable Bonds: 6