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2-{4-[(4-fluorophenyl)methyl]-2,5-dioxo-4-(piperidin-4-yl)imidazolidin-1-yl}-N,N-dimethylacetamide
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ChemBase ID:
324004
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Molecular Formular:
C19H25FN4O3
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Molecular Mass:
376.4252032
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Monoisotopic Mass:
376.1910689
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SMILES and InChIs
SMILES:
N1(C(=O)NC(C1=O)(Cc1ccc(F)cc1)C1CCNCC1)CC(=O)N(C)C
Canonical SMILES:
CN(C(=O)CN1C(=O)NC(C1=O)(Cc1ccc(cc1)F)C1CCNCC1)C
InChI:
InChI=1S/C19H25FN4O3/c1-23(2)16(25)12-24-17(26)19(22-18(24)27,14-7-9-21-10-8-14)11-13-3-5-15(20)6-4-13/h3-6,14,21H,7-12H2,1-2H3,(H,22,27)
InChIKey:
YSUBUGGHJIWWBH-UHFFFAOYSA-N
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Cite this record
CBID:324004 http://www.chembase.cn/molecule-324004.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-{4-[(4-fluorophenyl)methyl]-2,5-dioxo-4-(piperidin-4-yl)imidazolidin-1-yl}-N,N-dimethylacetamide
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IUPAC Traditional name
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2-{4-[(4-fluorophenyl)methyl]-2,5-dioxo-4-(piperidin-4-yl)imidazolidin-1-yl}-N,N-dimethylacetamide
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Synonyms
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2-[4-(4-fluorobenzyl)-2,5-dioxo-4-piperidin-4-ylimidazolidin-1-yl]-N,N-dimethylacetamide
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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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10.9290905
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H Acceptors
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4
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H Donor
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2
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LogD (pH = 5.5)
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-2.781126
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LogD (pH = 7.4)
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-2.1107798
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Log P
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0.03668849
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Molar Refractivity
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97.9114 cm3
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Polarizability
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37.694622 Å3
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Polar Surface Area
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81.75 Å2
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Rotatable Bonds
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5
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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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2
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Log P
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0.95
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LOG S
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-2.76
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Polar Surface Area
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81.75 Å2
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Rotatable Bonds
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5
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent