N-{3-[2-(5-methylfuran-2-yl)-1H-imidazol-1-yl]propyl}pyridin-3-amine

• ChemBase ID: 610767
• Molecular Formular: C16H18N4O
• Molecular Mass: 282.34032
• Monoisotopic Mass: 282.14806122
• SMILES: c1(c2oc(cc2)C)n(ccn1)CCCNc1cnccc1
• Canonical SMILES: Cc1ccc(o1)c1nccn1CCCNc1cccnc1
• InChI: InChI=1S/C16H18N4O/c1-13-5-6-15(21-13)16-19-9-11-20(16)10-3-8-18-14-4-2-7-17-12-14/h2,4-7,9,11-12,18H,3,8,10H2,1H3
• InChIKey: IABFJEILQPOMIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{3-[2-(5-methylfuran-2-yl)-1H-imidazol-1-yl]propyl}pyridin-3-amine
• IUPAC Traditional name: N-{3-[2-(5-methylfuran-2-yl)imidazol-1-yl]propyl}pyridin-3-amine
• Synonyms: N-{3-[2-(5-methyl-2-furyl)-1H-imidazol-1-yl]propyl}pyridin-3-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0728588
• LogD (pH = 7.4): 1.4720291
• Log P: 1.4798164
• Molar Refractivity: 93.543 cm^3
• Polarizability: 31.32882 Å^3
• Polar Surface Area: 55.88 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.5
• LOG S: -1.69
• Polar Surface Area: 55.88 Å^2
• Rotatable Bonds: 6