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

• ChemBase ID: 494266
• Molecular Formular: C22H25N3O2
• Molecular Mass: 363.4528
• Monoisotopic Mass: 363.19467706
• SMILES: n1c(c(n(c1)CCCC(=O)N(C)C)c1cc(OC)ccc1)c1ccccc1
• Canonical SMILES: COc1cccc(c1)c1n(CCCC(=O)N(C)C)cnc1c1ccccc1
• InChI: InChI=1S/C22H25N3O2/c1-24(2)20(26)13-8-14-25-16-23-21(17-9-5-4-6-10-17)22(25)18-11-7-12-19(15-18)27-3/h4-7,9-12,15-16H,8,13-14H2,1-3H3
• InChIKey: QWHIMGXNZRRMFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.9311976
• LogD (pH = 7.4): 3.1609828
• Log P: 3.1651495
• Molar Refractivity: 107.3052 cm^3
• Polarizability: 43.88907 Å^3
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.27
• LOG S: -4.65
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 7