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1-{2-[5-(3-fluoro-5-methylphenyl)-4-phenyl-1H-imidazol-1-yl]ethyl}piperidin-4-ol

ChemBase ID: 321251
Molecular Formular: C23H26FN3O
Molecular Mass: 379.4704432
Monoisotopic Mass: 379.20599069
SMILES and InChIs

SMILES:
n1c(c(n(c1)CCN1CCC(CC1)O)c1cc(cc(c1)C)F)c1ccccc1
Canonical SMILES:
OC1CCN(CC1)CCn1cnc(c1c1cc(C)cc(c1)F)c1ccccc1
InChI:
InChI=1S/C23H26FN3O/c1-17-13-19(15-20(24)14-17)23-22(18-5-3-2-4-6-18)25-16-27(23)12-11-26-9-7-21(28)8-10-26/h2-6,13-16,21,28H,7-12H2,1H3
InChIKey:
HRHVUUKXVRDEQJ-UHFFFAOYSA-N

Cite this record

CBID:321251 http://www.chembase.cn/molecule-321251.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-{2-[5-(3-fluoro-5-methylphenyl)-4-phenyl-1H-imidazol-1-yl]ethyl}piperidin-4-ol
IUPAC Traditional name
1-{2-[5-(3-fluoro-5-methylphenyl)-4-phenylimidazol-1-yl]ethyl}piperidin-4-ol
Synonyms
1-{2-[5-(3-fluoro-5-methylphenyl)-4-phenyl-1H-imidazol-1-yl]ethyl}piperidin-4-ol

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 15.179287  H Acceptors
H Donor LogD (pH = 5.5) 0.3723932 
LogD (pH = 7.4) 2.1217616  Log P 3.6715815 
Molar Refractivity 110.6884 cm3 Polarizability 44.72235 Å3
Polar Surface Area 41.29 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.33  LOG S -3.8 
Polar Surface Area 41.29 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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