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5-(1-ethylpiperidin-4-yl)-5-(2-phenylethyl)imidazolidine-2,4-dione
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ChemBase ID:
398761
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Molecular Formular:
C18H25N3O2
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Molecular Mass:
315.41
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Monoisotopic Mass:
315.19467706
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SMILES and InChIs
SMILES:
N1C(=O)C(NC1=O)(CCc1ccccc1)C1CCN(CC1)CC
Canonical SMILES:
CCN1CCC(CC1)C1(CCc2ccccc2)NC(=O)NC1=O
InChI:
InChI=1S/C18H25N3O2/c1-2-21-12-9-15(10-13-21)18(16(22)19-17(23)20-18)11-8-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H2,19,20,22,23)
InChIKey:
FMNOGKFXMFXEBF-UHFFFAOYSA-N
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Cite this record
CBID:398761 http://www.chembase.cn/molecule-398761.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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5-(1-ethylpiperidin-4-yl)-5-(2-phenylethyl)imidazolidine-2,4-dione
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IUPAC Traditional name
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5-(1-ethylpiperidin-4-yl)-5-(2-phenylethyl)imidazolidine-2,4-dione
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Synonyms
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5-(1-ethyl-4-piperidinyl)-5-(2-phenylethyl)-2,4-imidazolidinedione
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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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10.209618
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H Acceptors
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3
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H Donor
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2
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LogD (pH = 5.5)
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-0.9828636
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LogD (pH = 7.4)
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0.67077124
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Log P
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1.896026
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Molar Refractivity
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89.7424 cm3
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Polarizability
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34.911774 Å3
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Polar Surface Area
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61.44 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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3
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H Donor
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2
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Log P
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1.88
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LOG S
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-2.95
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Polar Surface Area
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61.44 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