4-[5-(3-fluoro-5-methylphenyl)-4-phenyl-1H-imidazol-1-yl]-N,N-dimethylbutanamide

• ChemBase ID: 793256
• Molecular Formular: C22H24FN3O
• Molecular Mass: 365.4438632
• Monoisotopic Mass: 365.19034062
• SMILES: n1c(c(n(c1)CCCC(=O)N(C)C)c1cc(cc(c1)C)F)c1ccccc1
• Canonical SMILES: Cc1cc(F)cc(c1)c1n(CCCC(=O)N(C)C)cnc1c1ccccc1
• InChI: InChI=1S/C22H24FN3O/c1-16-12-18(14-19(23)13-16)22-21(17-8-5-4-6-9-17)24-15-26(22)11-7-10-20(27)25(2)3/h4-6,8-9,12-15H,7,10-11H2,1-3H3
• InChIKey: ORLVMKVPQSBINT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[5-(3-fluoro-5-methylphenyl)-4-phenyl-1H-imidazol-1-yl]-N,N-dimethylbutanamide
• IUPAC Traditional name: 4-[5-(3-fluoro-5-methylphenyl)-4-phenylimidazol-1-yl]-N,N-dimethylbutanamide
• Synonyms: 4-[5-(3-fluoro-5-methylphenyl)-4-phenyl-1H-imidazol-1-yl]-N,N-dimethylbutanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7493386
• LogD (pH = 7.4): 3.9748836
• Log P: 3.978944
• Molar Refractivity: 106.0996 cm^3
• Polarizability: 42.742775 Å^3
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.91
• LOG S: -5.2
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 6