2-(2-phenylphenyl)-1-{[1-(propan-2-yl)-1H-imidazol-2-yl]methyl}-1H-imidazole

• ChemBase ID: 831775
• Molecular Formular: C22H22N4
• Molecular Mass: 342.43688
• Monoisotopic Mass: 342.18444672
• SMILES: c1(n(Cc2n(ccn2)C(C)C)ccn1)c1c(c2ccccc2)cccc1
• Canonical SMILES: CC(n1ccnc1Cn1ccnc1c1ccccc1c1ccccc1)C
• InChI: InChI=1S/C22H22N4/c1-17(2)26-15-13-23-21(26)16-25-14-12-24-22(25)20-11-7-6-10-19(20)18-8-4-3-5-9-18/h3-15,17H,16H2,1-2H3
• InChIKey: NMYQRFXVEDSXIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-phenylphenyl)-1-{[1-(propan-2-yl)-1H-imidazol-2-yl]methyl}-1H-imidazole
• IUPAC Traditional name: 1-[(1-isopropylimidazol-2-yl)methyl]-2-(2-phenylphenyl)imidazole
• Synonyms: 2-biphenyl-2-yl-1-[(1-isopropyl-1H-imidazol-2-yl)methyl]-1H-imidazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.109553
• LogD (pH = 7.4): 4.3475723
• Log P: 4.4266763
• Molar Refractivity: 115.1058 cm^3
• Polarizability: 42.08873 Å^3
• Polar Surface Area: 35.64 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.63
• LOG S: -4.8
• Polar Surface Area: 35.64 Å^2
• Rotatable Bonds: 5