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2-{4-[(4-fluorophenyl)methyl]-2,5-dioxo-4-(piperidin-4-yl)imidazolidin-1-yl}-N,N-dimethylacetamide

ChemBase ID: 324004
Molecular Formular: C19H25FN4O3
Molecular Mass: 376.4252032
Monoisotopic Mass: 376.1910689
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

Cite this record

CBID:324004 http://www.chembase.cn/molecule-324004.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-{4-[(4-fluorophenyl)methyl]-2,5-dioxo-4-(piperidin-4-yl)imidazolidin-1-yl}-N,N-dimethylacetamide
IUPAC Traditional name
2-{4-[(4-fluorophenyl)methyl]-2,5-dioxo-4-(piperidin-4-yl)imidazolidin-1-yl}-N,N-dimethylacetamide
Synonyms
2-[4-(4-fluorobenzyl)-2,5-dioxo-4-piperidin-4-ylimidazolidin-1-yl]-N,N-dimethylacetamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11512756 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 10.9290905  H Acceptors
H Donor LogD (pH = 5.5) -2.781126 
LogD (pH = 7.4) -2.1107798  Log P 0.03668849 
Molar Refractivity 97.9114 cm3 Polarizability 37.694622 Å3
Polar Surface Area 81.75 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.95  LOG S -2.76 
Polar Surface Area 81.75 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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