N-(furan-2-ylmethyl)-2-(2-phenyl-1H-imidazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide

• ChemBase ID: 509567
• Molecular Formular: C22H20N4O2
• Molecular Mass: 372.4198
• Monoisotopic Mass: 372.1586259
• SMILES: n1(c(ncc1)c1ccccc1)CC(=O)N(Cc1occc1)Cc1ncccc1
• Canonical SMILES: O=C(N(Cc1ccco1)Cc1ccccn1)Cn1ccnc1c1ccccc1
• InChI: InChI=1S/C22H20N4O2/c27-21(17-25-13-12-24-22(25)18-7-2-1-3-8-18)26(16-20-10-6-14-28-20)15-19-9-4-5-11-23-19/h1-14H,15-17H2
• InChIKey: FWSUKHPCTHTXKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)-2-(2-phenyl-1H-imidazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
• IUPAC Traditional name: N-(furan-2-ylmethyl)-2-(2-phenylimidazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
• Synonyms: N-(2-furylmethyl)-2-(2-phenyl-1H-imidazol-1-yl)-N-(2-pyridinylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0145817
• LogD (pH = 7.4): 2.5756962
• Log P: 2.5946074
• Molar Refractivity: 115.6483 cm^3
• Polarizability: 41.129913 Å^3
• Polar Surface Area: 64.16 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.04
• LOG S: -2.36
• Polar Surface Area: 64.16 Å^2
• Rotatable Bonds: 7