3-[(5-cyclopentyl-4-phenyl-1H-imidazol-1-yl)methyl]-N-methylbenzamide

• ChemBase ID: 780407
• Molecular Formular: C23H25N3O
• Molecular Mass: 359.4641
• Monoisotopic Mass: 359.19976244
• SMILES: n1(c(c(nc1)c1ccccc1)C1CCCC1)Cc1cc(C(=O)NC)ccc1
• Canonical SMILES: CNC(=O)c1cccc(c1)Cn1cnc(c1C1CCCC1)c1ccccc1
• InChI: InChI=1S/C23H25N3O/c1-24-23(27)20-13-7-8-17(14-20)15-26-16-25-21(18-9-3-2-4-10-18)22(26)19-11-5-6-12-19/h2-4,7-10,13-14,16,19H,5-6,11-12,15H2,1H3,(H,24,27)
• InChIKey: XYGFIRQLFHHWKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(5-cyclopentyl-4-phenyl-1H-imidazol-1-yl)methyl]-N-methylbenzamide
• IUPAC Traditional name: 3-[(5-cyclopentyl-4-phenylimidazol-1-yl)methyl]-N-methylbenzamide
• Synonyms: 3-[(5-cyclopentyl-4-phenyl-1H-imidazol-1-yl)methyl]-N-methylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.874191
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.874625
• LogD (pH = 7.4): 4.404911
• Log P: 4.422785
• Molar Refractivity: 108.8065 cm^3
• Polarizability: 42.565384 Å^3
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.1
• LOG S: -5.33
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 5