4-(2-propyl-1H-imidazol-1-yl)pyridine

• ChemBase ID: 461053
• Molecular Formular: C11H13N3
• Molecular Mass: 187.24102
• Monoisotopic Mass: 187.11094743
• SMILES: n1(c(ncc1)CCC)c1ccncc1
• Canonical SMILES: CCCc1nccn1c1ccncc1
• InChI: InChI=1S/C11H13N3/c1-2-3-11-13-8-9-14(11)10-4-6-12-7-5-10/h4-9H,2-3H2,1H3
• InChIKey: BZOTTYWURRJVPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-propyl-1H-imidazol-1-yl)pyridine
• IUPAC Traditional name: 4-(2-propylimidazol-1-yl)pyridine
• Synonyms: 4-(2-propyl-1H-imidazol-1-yl)pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.059983194
• LogD (pH = 7.4): 1.1600546
• Log P: 1.7869071
• Molar Refractivity: 65.5181 cm^3
• Polarizability: 21.977182 Å^3
• Polar Surface Area: 30.71 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 1.83
• LOG S: -2.13
• Polar Surface Area: 30.71 Å^2
• Rotatable Bonds: 3