3-[4-phenyl-5-(2-phenylethyl)-1H-imidazol-1-yl]propanamide

• ChemBase ID: 644053
• Molecular Formular: C20H21N3O
• Molecular Mass: 319.40024
• Monoisotopic Mass: 319.16846231
• SMILES: n1c(c(n(c1)CCC(=O)N)CCc1ccccc1)c1ccccc1
• Canonical SMILES: NC(=O)CCn1cnc(c1CCc1ccccc1)c1ccccc1
• InChI: InChI=1S/C20H21N3O/c21-19(24)13-14-23-15-22-20(17-9-5-2-6-10-17)18(23)12-11-16-7-3-1-4-8-16/h1-10,15H,11-14H2,(H2,21,24)
• InChIKey: OSAQIWXAQDFFHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[4-phenyl-5-(2-phenylethyl)-1H-imidazol-1-yl]propanamide
• IUPAC Traditional name: 3-[4-phenyl-5-(2-phenylethyl)imidazol-1-yl]propanamide
• Synonyms: 3-[4-phenyl-5-(2-phenylethyl)-1H-imidazol-1-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.429428
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.7072372
• LogD (pH = 7.4): 3.2966392
• Log P: 3.3200374
• Molar Refractivity: 95.6496 cm^3
• Polarizability: 37.998802 Å^3
• Polar Surface Area: 60.91 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.9
• LOG S: -4.01
• Polar Surface Area: 60.91 Å^2
• Rotatable Bonds: 7