3-[2-(5-benzyl-4-phenyl-1H-imidazol-1-yl)ethyl]-1,3-oxazolidin-2-one

• ChemBase ID: 689935
• Molecular Formular: C21H21N3O2
• Molecular Mass: 347.41034
• Monoisotopic Mass: 347.16337693
• SMILES: n1c(c(n(c1)CCN1C(=O)OCC1)Cc1ccccc1)c1ccccc1
• Canonical SMILES: O=C1OCCN1CCn1cnc(c1Cc1ccccc1)c1ccccc1
• InChI: InChI=1S/C21H21N3O2/c25-21-23(13-14-26-21)11-12-24-16-22-20(18-9-5-2-6-10-18)19(24)15-17-7-3-1-4-8-17/h1-10,16H,11-15H2
• InChIKey: ZFQVXEKJQAENPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(5-benzyl-4-phenyl-1H-imidazol-1-yl)ethyl]-1,3-oxazolidin-2-one
• IUPAC Traditional name: 3-[2-(5-benzyl-4-phenylimidazol-1-yl)ethyl]-1,3-oxazolidin-2-one
• Synonyms: 3-[2-(5-benzyl-4-phenyl-1H-imidazol-1-yl)ethyl]-1,3-oxazolidin-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1744556
• LogD (pH = 7.4): 3.6469018
• Log P: 3.6607203
• Molar Refractivity: 100.3873 cm^3
• Polarizability: 39.845074 Å^3
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.34
• LOG S: -4.58
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 6