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

• ChemBase ID: 735835
• Molecular Formular: C16H15ClN4
• Molecular Mass: 298.7701
• Monoisotopic Mass: 298.09852418
• SMILES: c1(n(ccn1)CCNc1cnccc1)c1cc(Cl)ccc1
• Canonical SMILES: Clc1cccc(c1)c1nccn1CCNc1cccnc1
• InChI: InChI=1S/C16H15ClN4/c17-14-4-1-3-13(11-14)16-20-8-10-21(16)9-7-19-15-5-2-6-18-12-15/h1-6,8,10-12,19H,7,9H2
• InChIKey: ANYGPPGBWHXPES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.9215449
• LogD (pH = 7.4): 2.7393203
• Log P: 2.7640934
• Molar Refractivity: 95.9418 cm^3
• Polarizability: 32.70904 Å^3
• Polar Surface Area: 42.74 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 1.71
• LOG S: -2.84
• Polar Surface Area: 42.74 Å^2
• Rotatable Bonds: 5