N-{3-[2-(2-methoxyphenyl)-1H-imidazol-1-yl]propyl}pyridin-3-amine

• ChemBase ID: 593844
• Molecular Formular: C18H20N4O
• Molecular Mass: 308.3776
• Monoisotopic Mass: 308.16371128
• SMILES: c1(c2c(OC)cccc2)n(ccn1)CCCNc1cnccc1
• Canonical SMILES: COc1ccccc1c1nccn1CCCNc1cccnc1
• InChI: InChI=1S/C18H20N4O/c1-23-17-8-3-2-7-16(17)18-21-11-13-22(18)12-5-10-20-15-6-4-9-19-14-15/h2-4,6-9,11,13-14,20H,5,10,12H2,1H3
• InChIKey: HPDFIKPXDIDHMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{3-[2-(2-methoxyphenyl)-1H-imidazol-1-yl]propyl}pyridin-3-amine
• IUPAC Traditional name: N-{3-[2-(2-methoxyphenyl)imidazol-1-yl]propyl}pyridin-3-amine
• Synonyms: N-{3-[2-(2-methoxyphenyl)-1H-imidazol-1-yl]propyl}pyridin-3-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.3140535
• LogD (pH = 7.4): 2.044717
• Log P: 2.0623372
• Molar Refractivity: 102.4656 cm^3
• Polarizability: 35.2199 Å^3
• Polar Surface Area: 51.97 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.97
• LOG S: -2.28
• Polar Surface Area: 51.97 Å^2
• Rotatable Bonds: 7