NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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3-{4-phenyl-1-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazol-5-yl}benzonitrile
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IUPAC Traditional name
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3-{5-phenyl-3-[1-(2H-1,2,4-triazol-3-yl)ethyl]imidazol-4-yl}benzonitrile
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Synonyms
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3-{4-phenyl-1-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazol-5-yl}benzonitrile
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
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8.598156
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H Acceptors
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4
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H Donor
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1
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LogD (pH = 5.5)
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3.3109004
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LogD (pH = 7.4)
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3.4893513
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Log P
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3.5189183
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Molar Refractivity
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100.704 cm3
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Polarizability
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40.049446 Å3
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Polar Surface Area
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83.18 Å2
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Rotatable Bonds
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4
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Lipinski's Rule of Five
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true
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H Acceptors
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4
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H Donor
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1
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Log P
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2.69
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LOG S
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-4.24
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Polar Surface Area
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83.18 Å2
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Rotatable Bonds
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4
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent