N-cyclohexyl-3-[2-(2,3-difluoro-6-methoxyphenyl)-1H-imidazol-1-yl]propanamide

• ChemBase ID: 415049
• Molecular Formular: C19H23F2N3O2
• Molecular Mass: 363.4016264
• Monoisotopic Mass: 363.17583343
• SMILES: c1(c2c(c(ccc2OC)F)F)n(ccn1)CCC(=O)NC1CCCCC1
• Canonical SMILES: COc1ccc(c(c1c1nccn1CCC(=O)NC1CCCCC1)F)F
• InChI: InChI=1S/C19H23F2N3O2/c1-26-15-8-7-14(20)18(21)17(15)19-22-10-12-24(19)11-9-16(25)23-13-5-3-2-4-6-13/h7-8,10,12-13H,2-6,9,11H2,1H3,(H,23,25)
• InChIKey: OYCKQBFSRCEOGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-3-[2-(2,3-difluoro-6-methoxyphenyl)-1H-imidazol-1-yl]propanamide
• IUPAC Traditional name: N-cyclohexyl-3-[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]propanamide
• Synonyms: N-cyclohexyl-3-[2-(2,3-difluoro-6-methoxyphenyl)-1H-imidazol-1-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.312059
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.9301324
• LogD (pH = 7.4): 3.1578531
• Log P: 3.1619546
• Molar Refractivity: 104.4242 cm^3
• Polarizability: 36.35772 Å^3
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.25
• LOG S: -3.77
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 6