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

• ChemBase ID: 847808
• Molecular Formular: C22H23N5
• Molecular Mass: 357.45152
• Monoisotopic Mass: 357.19534576
• SMILES: n1(c(c(nc1)c1ccccc1)c1ncc(cc1)CC)C(c1cn(nc1)C)C
• Canonical SMILES: CCc1ccc(nc1)c1c(ncn1C(c1cnn(c1)C)C)c1ccccc1
• InChI: InChI=1S/C22H23N5/c1-4-17-10-11-20(23-12-17)22-21(18-8-6-5-7-9-18)24-15-27(22)16(2)19-13-25-26(3)14-19/h5-16H,4H2,1-3H3
• InChIKey: IWRCHLYMARSYAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.2947116
• LogD (pH = 7.4): 4.3727264
• Log P: 4.3738303
• Molar Refractivity: 118.7355 cm^3
• Polarizability: 43.62157 Å^3
• Polar Surface Area: 48.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.6
• LOG S: -4.88
• Polar Surface Area: 48.53 Å^2
• Rotatable Bonds: 5