4-{2-[2-(3-fluoro-2,4-dimethylphenyl)-1H-imidazol-1-yl]-1-(pyridin-2-yl)ethyl}morpholine

• ChemBase ID: 579296
• Molecular Formular: C22H25FN4O
• Molecular Mass: 380.4585032
• Monoisotopic Mass: 380.20123966
• SMILES: c1(n(CC(N2CCOCC2)c2ncccc2)ccn1)c1c(c(c(cc1)C)F)C
• Canonical SMILES: Cc1ccc(c(c1F)C)c1nccn1CC(c1ccccn1)N1CCOCC1
• InChI: InChI=1S/C22H25FN4O/c1-16-6-7-18(17(2)21(16)23)22-25-9-10-27(22)15-20(19-5-3-4-8-24-19)26-11-13-28-14-12-26/h3-10,20H,11-15H2,1-2H3
• InChIKey: KOEYWXMYRAUXBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{2-[2-(3-fluoro-2,4-dimethylphenyl)-1H-imidazol-1-yl]-1-(pyridin-2-yl)ethyl}morpholine
• IUPAC Traditional name: 4-{2-[2-(3-fluoro-2,4-dimethylphenyl)imidazol-1-yl]-1-(pyridin-2-yl)ethyl}morpholine
• Synonyms: 4-{2-[2-(3-fluoro-2,4-dimethylphenyl)-1H-imidazol-1-yl]-1-pyridin-2-ylethyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.8439786
• LogD (pH = 7.4): 3.8423915
• Log P: 3.8731399
• Molar Refractivity: 118.0823 cm^3
• Polarizability: 41.737648 Å^3
• Polar Surface Area: 43.18 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.53
• LOG S: -1.83
• Polar Surface Area: 43.18 Å^2
• Rotatable Bonds: 5