3-[1-(3-methylphenyl)-1H-imidazol-2-yl]pyridine

• ChemBase ID: 715437
• Molecular Formular: C15H13N3
• Molecular Mass: 235.28382
• Monoisotopic Mass: 235.11094743
• SMILES: c1(n(c2cc(ccc2)C)ccn1)c1cnccc1
• Canonical SMILES: Cc1cccc(c1)n1ccnc1c1cccnc1
• InChI: InChI=1S/C15H13N3/c1-12-4-2-6-14(10-12)18-9-8-17-15(18)13-5-3-7-16-11-13/h2-11H,1H3
• InChIKey: KNSXLRDXXUGFKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[1-(3-methylphenyl)-1H-imidazol-2-yl]pyridine
• IUPAC Traditional name: 3-[1-(3-methylphenyl)imidazol-2-yl]pyridine
• Synonyms: 3-[1-(3-methylphenyl)-1H-imidazol-2-yl]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7373722
• LogD (pH = 7.4): 3.0505035
• Log P: 3.0569296
• Molar Refractivity: 91.9923 cm^3
• Polarizability: 28.629221 Å^3
• Polar Surface Area: 30.71 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.06
• LOG S: -3.53
• Polar Surface Area: 30.71 Å^2
• Rotatable Bonds: 2