4-{3-[5-(2-methyl-1,3-thiazol-5-yl)-4-phenyl-1H-imidazol-1-yl]propyl}pyridine

• ChemBase ID: 444401
• Molecular Formular: C21H20N4S
• Molecular Mass: 360.4753
• Monoisotopic Mass: 360.14086766
• SMILES: c1(c2c(ncn2CCCc2ccncc2)c2ccccc2)sc(nc1)C
• Canonical SMILES: Cc1ncc(s1)c1n(CCCc2ccncc2)cnc1c1ccccc1
• InChI: InChI=1S/C21H20N4S/c1-16-23-14-19(26-16)21-20(18-7-3-2-4-8-18)24-15-25(21)13-5-6-17-9-11-22-12-10-17/h2-4,7-12,14-15H,5-6,13H2,1H3
• InChIKey: IQMWMCQXIFVQFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.270566
• LogD (pH = 7.4): 3.688466
• Log P: 3.697348
• Molar Refractivity: 104.9323 cm^3
• Polarizability: 42.712658 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.68
• LOG S: -3.67
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 6