N-[2-(4,5-dimethyl-1H-imidazol-1-yl)ethyl]-2-(2,5-dioxo-1-propylimidazolidin-4-yl)acetamide

• ChemBase ID: 563439
• Molecular Formular: C15H23N5O3
• Molecular Mass: 321.37482
• Monoisotopic Mass: 321.18008962
• SMILES: N1(C(=O)NC(C1=O)CC(=O)NCCn1c(c(nc1)C)C)CCC
• Canonical SMILES: CCCN1C(=O)NC(C1=O)CC(=O)NCCn1cnc(c1C)C
• InChI: InChI=1S/C15H23N5O3/c1-4-6-20-14(22)12(18-15(20)23)8-13(21)16-5-7-19-9-17-10(2)11(19)3/h9,12H,4-8H2,1-3H3,(H,16,21)(H,18,23)
• InChIKey: RFDYNKJPLGLPSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4,5-dimethyl-1H-imidazol-1-yl)ethyl]-2-(2,5-dioxo-1-propylimidazolidin-4-yl)acetamide
• IUPAC Traditional name: N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-2-(2,5-dioxo-1-propylimidazolidin-4-yl)acetamide
• Synonyms: N-[2-(4,5-dimethyl-1H-imidazol-1-yl)ethyl]-2-(2,5-dioxo-1-propylimidazolidin-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.517568
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.7282908
• LogD (pH = 7.4): -0.9309794
• Log P: -0.7656699
• Molar Refractivity: 84.1453 cm^3
• Polarizability: 32.071205 Å^3
• Polar Surface Area: 96.33 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.49
• LOG S: -2.44
• Polar Surface Area: 96.33 Å^2
• Rotatable Bonds: 7