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65855-02-9 molecular structure
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1-benzyl-5-ethoxyimidazolidine-2,4-dione

ChemBase ID: 89350
Molecular Formular: C12H14N2O3
Molecular Mass: 234.25116
Monoisotopic Mass: 234.10044232
SMILES and InChIs

SMILES:
N1C(=O)N(Cc2ccccc2)C(C1=O)OCC
Canonical SMILES:
CCOC1C(=O)NC(=O)N1Cc1ccccc1
InChI:
InChI=1S/C12H14N2O3/c1-2-17-11-10(15)13-12(16)14(11)8-9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3,(H,13,15,16)
InChIKey:
FUQZCDCFSMSNBP-UHFFFAOYSA-N

Cite this record

CBID:89350 http://www.chembase.cn/molecule-89350.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-benzyl-5-ethoxyimidazolidine-2,4-dione
IUPAC Traditional name
1-benzyl-5-ethoxyimidazolidine-2,4-dione
Synonyms
1-Benzyl-5-ethoxyhydantoin
1-Benzyl-5-ethoxyimidazolidine-2,4-dione
1-benzyl-5-ethoxy-2,4-imidazolidine dione
CAS Number
65855-02-9
MDL Number
MFCD03838588
PubChem SID
162076230
PubChem CID
4079622

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.547862  H Acceptors
H Donor LogD (pH = 5.5) 1.2087392 
LogD (pH = 7.4) 1.1796278  Log P 1.2091235 
Molar Refractivity 61.2536 cm3 Polarizability 23.787325 Å3
Polar Surface Area 58.64 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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