N-{4-[2-(3,5-difluoro-4-methoxyphenyl)-1H-imidazol-1-yl]phenyl}acetamide

• ChemBase ID: 861445
• Molecular Formular: C18H15F2N3O2
• Molecular Mass: 343.3274064
• Monoisotopic Mass: 343.11323318
• SMILES: c1(n(c2ccc(NC(=O)C)cc2)ccn1)c1cc(c(c(c1)F)OC)F
• Canonical SMILES: COc1c(F)cc(cc1F)c1nccn1c1ccc(cc1)NC(=O)C
• InChI: InChI=1S/C18H15F2N3O2/c1-11(24)22-13-3-5-14(6-4-13)23-8-7-21-18(23)12-9-15(19)17(25-2)16(20)10-12/h3-10H,1-2H3,(H,22,24)
• InChIKey: HIYDIGNBXKNMPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{4-[2-(3,5-difluoro-4-methoxyphenyl)-1H-imidazol-1-yl]phenyl}acetamide
• IUPAC Traditional name: N-{4-[2-(3,5-difluoro-4-methoxyphenyl)imidazol-1-yl]phenyl}acetamide
• Synonyms: N-{4-[2-(3,5-difluoro-4-methoxyphenyl)-1H-imidazol-1-yl]phenyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.843541
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.7369516
• LogD (pH = 7.4): 3.1175666
• Log P: 3.1266236
• Molar Refractivity: 110.867 cm^3
• Polarizability: 34.411407 Å^3
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.9
• LOG S: -5.03
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 4