4-(2,4-dioxoimidazolidin-1-yl)-N-[2-(1H-indol-1-yl)ethyl]benzamide

• ChemBase ID: 438802
• Molecular Formular: C20H18N4O3
• Molecular Mass: 362.38192
• Monoisotopic Mass: 362.13789046
• SMILES: C1(=O)NC(=O)CN1c1ccc(C(=O)NCCn2ccc3c2cccc3)cc1
• Canonical SMILES: O=C1NC(=O)N(C1)c1ccc(cc1)C(=O)NCCn1ccc2c1cccc2
• InChI: InChI=1S/C20H18N4O3/c25-18-13-24(20(27)22-18)16-7-5-15(6-8-16)19(26)21-10-12-23-11-9-14-3-1-2-4-17(14)23/h1-9,11H,10,12-13H2,(H,21,26)(H,22,25,27)
• InChIKey: XHDJAUULBCANFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,4-dioxoimidazolidin-1-yl)-N-[2-(1H-indol-1-yl)ethyl]benzamide
• IUPAC Traditional name: 4-(2,4-dioxoimidazolidin-1-yl)-N-[2-(indol-1-yl)ethyl]benzamide
• Synonyms: 4-(2,4-dioxoimidazolidin-1-yl)-N-[2-(1H-indol-1-yl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.064496
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.6297722
• LogD (pH = 7.4): 1.6206934
• Log P: 1.6298894
• Molar Refractivity: 99.7677 cm^3
• Polarizability: 38.834545 Å^3
• Polar Surface Area: 83.44 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.72
• LOG S: -3.31
• Polar Surface Area: 83.44 Å^2
• Rotatable Bonds: 5