N-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-(2-phenyl-1H-imidazol-1-yl)acetamide

• ChemBase ID: 546578
• Molecular Formular: C16H19N5O2
• Molecular Mass: 313.35436
• Monoisotopic Mass: 313.15387487
• SMILES: n1(c(ncc1)c1ccccc1)CC(=O)NCCN1C(=O)NCC1
• Canonical SMILES: O=C(Cn1ccnc1c1ccccc1)NCCN1CCNC1=O
• InChI: InChI=1S/C16H19N5O2/c22-14(17-6-9-20-10-8-19-16(20)23)12-21-11-7-18-15(21)13-4-2-1-3-5-13/h1-5,7,11H,6,8-10,12H2,(H,17,22)(H,19,23)
• InChIKey: CBPGVFIAYNQAPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-(2-phenyl-1H-imidazol-1-yl)acetamide
• IUPAC Traditional name: N-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-(2-phenylimidazol-1-yl)acetamide
• Synonyms: N-[2-(2-oxo-1-imidazolidinyl)ethyl]-2-(2-phenyl-1H-imidazol-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.826044
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.60030496
• LogD (pH = 7.4): -0.056603134
• Log P: -0.037916683
• Molar Refractivity: 95.7093 cm^3
• Polarizability: 33.129276 Å^3
• Polar Surface Area: 79.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.05
• LOG S: -2.84
• Polar Surface Area: 79.26 Å^2
• Rotatable Bonds: 6