4-{1-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl}pyridine

• ChemBase ID: 516675
• Molecular Formular: C19H20N4
• Molecular Mass: 304.3889
• Monoisotopic Mass: 304.16879666
• SMILES: n1(c(ncc1)c1ccncc1)c1cc(CN2CCCC2)ccc1
• Canonical SMILES: C1CCN(C1)Cc1cccc(c1)n1ccnc1c1ccncc1
• InChI: InChI=1S/C19H20N4/c1-2-12-22(11-1)15-16-4-3-5-18(14-16)23-13-10-21-19(23)17-6-8-20-9-7-17/h3-10,13-14H,1-2,11-12,15H2
• InChIKey: LYOJIXPMTVHTNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{1-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl}pyridine
• IUPAC Traditional name: 4-{1-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazol-2-yl}pyridine
• Synonyms: 4-{1-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-imidazol-2-yl}pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.85253435
• LogD (pH = 7.4): 0.76586396
• Log P: 2.8907022
• Molar Refractivity: 113.0348 cm^3
• Polarizability: 36.863213 Å^3
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.13
• LOG S: -3.08
• Polar Surface Area: 33.95 Å^2
• Rotatable Bonds: 4