4-(2,4-dioxoimidazolidin-1-yl)-N-[3-(2-ethyl-1H-imidazol-1-yl)propyl]benzamide

• ChemBase ID: 319325
• Molecular Formular: C18H21N5O3
• Molecular Mass: 355.39104
• Monoisotopic Mass: 355.16443956
• SMILES: C1(=O)NC(=O)CN1c1ccc(C(=O)NCCCn2c(ncc2)CC)cc1
• Canonical SMILES: CCc1nccn1CCCNC(=O)c1ccc(cc1)N1CC(=O)NC1=O
• InChI: InChI=1S/C18H21N5O3/c1-2-15-19-9-11-22(15)10-3-8-20-17(25)13-4-6-14(7-5-13)23-12-16(24)21-18(23)26/h4-7,9,11H,2-3,8,10,12H2,1H3,(H,20,25)(H,21,24,26)
• InChIKey: RQOJEAPCFXWGPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,4-dioxoimidazolidin-1-yl)-N-[3-(2-ethyl-1H-imidazol-1-yl)propyl]benzamide
• IUPAC Traditional name: 4-(2,4-dioxoimidazolidin-1-yl)-N-[3-(2-ethylimidazol-1-yl)propyl]benzamide
• Synonyms: 4-(2,4-dioxo-1-imidazolidinyl)-N-[3-(2-ethyl-1H-imidazol-1-yl)propyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.070717
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.698372
• LogD (pH = 7.4): 0.08899673
• Log P: 0.19961007
• Molar Refractivity: 95.569 cm^3
• Polarizability: 35.950912 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: -0.04
• LOG S: -3.07
• Polar Surface Area: 96.33 Å^2
• Rotatable Bonds: 7