2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(5-fluoro-1H-1,3-benzodiazol-2-yl)ethyl]-N-methylacetamide

• ChemBase ID: 763026
• Molecular Formular: C17H20FN5O3
• Molecular Mass: 361.3708032
• Monoisotopic Mass: 361.15501775
• SMILES: N1(C(=O)N(C(C1=O)CC(=O)N(CCc1nc2c([nH]1)ccc(c2)F)C)C)C
• Canonical SMILES: Fc1ccc2c(c1)nc([nH]2)CCN(C(=O)CC1N(C)C(=O)N(C1=O)C)C
• InChI: InChI=1S/C17H20FN5O3/c1-21(15(24)9-13-16(25)23(3)17(26)22(13)2)7-6-14-19-11-5-4-10(18)8-12(11)20-14/h4-5,8,13H,6-7,9H2,1-3H3,(H,19,20)
• InChIKey: ICNQDQHWZAXVJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(5-fluoro-1H-1,3-benzodiazol-2-yl)ethyl]-N-methylacetamide
• IUPAC Traditional name: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(5-fluoro-1H-1,3-benzodiazol-2-yl)ethyl]-N-methylacetamide
• Synonyms: 2-(1,3-dimethyl-2,5-dioxo-4-imidazolidinyl)-N-[2-(5-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.880075
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.20194554
• LogD (pH = 7.4): 0.024187978
• Log P: 0.028105939
• Molar Refractivity: 90.7503 cm^3
• Polarizability: 35.68854 Å^3
• Polar Surface Area: 89.61 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.5
• LOG S: -2.72
• Polar Surface Area: 89.61 Å^2
• Rotatable Bonds: 5