N-(3-{2-[2-(furan-2-yl)pyrimidin-5-yl]-1H-imidazol-1-yl}phenyl)acetamide

• ChemBase ID: 621937
• Molecular Formular: C19H15N5O2
• Molecular Mass: 345.3547
• Monoisotopic Mass: 345.12257475
• SMILES: c1(n(c2cc(NC(=O)C)ccc2)ccn1)c1cnc(nc1)c1occc1
• Canonical SMILES: CC(=O)Nc1cccc(c1)n1ccnc1c1cnc(nc1)c1ccco1
• InChI: InChI=1S/C19H15N5O2/c1-13(25)23-15-4-2-5-16(10-15)24-8-7-20-19(24)14-11-21-18(22-12-14)17-6-3-9-26-17/h2-12H,1H3,(H,23,25)
• InChIKey: FRJJWAYMQSUBEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-{2-[2-(furan-2-yl)pyrimidin-5-yl]-1H-imidazol-1-yl}phenyl)acetamide
• IUPAC Traditional name: N-(3-{2-[2-(furan-2-yl)pyrimidin-5-yl]imidazol-1-yl}phenyl)acetamide
• Synonyms: N-(3-{2-[2-(2-furyl)pyrimidin-5-yl]-1H-imidazol-1-yl}phenyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.189396
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.3351705
• LogD (pH = 7.4): 2.5623276
• Log P: 2.5663502
• Molar Refractivity: 128.4373 cm^3
• Polarizability: 37.937355 Å^3
• Polar Surface Area: 85.84 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.18
• LOG S: -3.58
• Polar Surface Area: 85.84 Å^2
• Rotatable Bonds: 4