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

• ChemBase ID: 401876
• Molecular Formular: C17H17N3
• Molecular Mass: 263.33698
• Monoisotopic Mass: 263.14224756
• SMILES: c1(n(ccn1)CCCc1ccccc1)c1ncccc1
• Canonical SMILES: c1ccc(cc1)CCCn1ccnc1c1ccccn1
• InChI: InChI=1S/C17H17N3/c1-2-7-15(8-3-1)9-6-13-20-14-12-19-17(20)16-10-4-5-11-18-16/h1-5,7-8,10-12,14H,6,9,13H2
• InChIKey: MZLTVDGCBKKPIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7270594
• LogD (pH = 7.4): 3.729077
• Log P: 3.729103
• Molar Refractivity: 90.4508 cm^3
• Polarizability: 31.534424 Å^3
• Polar Surface Area: 30.71 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: 3.04
• LOG S: -3.72
• Polar Surface Area: 30.71 Å^2
• Rotatable Bonds: 5