8-{1-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-4-phenyl-1H-imidazol-5-yl}quinoline

• ChemBase ID: 672703
• Molecular Formular: C24H21N5
• Molecular Mass: 379.45704
• Monoisotopic Mass: 379.1796957
• SMILES: c1(c(ncn1CCn1c(ncc1)C)c1ccccc1)c1c2ncccc2ccc1
• Canonical SMILES: Cc1nccn1CCn1cnc(c1c1cccc2c1nccc2)c1ccccc1
• InChI: InChI=1S/C24H21N5/c1-18-25-13-14-28(18)15-16-29-17-27-23(20-7-3-2-4-8-20)24(29)21-11-5-9-19-10-6-12-26-22(19)21/h2-14,17H,15-16H2,1H3
• InChIKey: QUAOCWFJYFWNKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-{1-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-4-phenyl-1H-imidazol-5-yl}quinoline
• IUPAC Traditional name: 8-{3-[2-(2-methylimidazol-1-yl)ethyl]-5-phenylimidazol-4-yl}quinoline
• Synonyms: 8-{1-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-4-phenyl-1H-imidazol-5-yl}quinoline

CALCULATED PROPERTIES

JChem

• Molar Refractivity: 113.9899 cm^3
• Polarizability: 47.56023 Å^3
• Polar Surface Area: 48.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6884296
• LogD (pH = 7.4): 3.6232474
• Log P: 3.8664002

供应商提供(Chembridge)

• Polar Surface Area: 48.53 Å^2
• Rotatable Bonds: 5
• H Acceptors: 3
• H Donor: 0
• Log P: 3.43
• LOG S: -4.9