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201606-44-2 molecular structure
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(5R)-5-ethyl-1,3-dimethyl-5-phenylimidazolidine-2,4-dione

ChemBase ID: 173921
Molecular Formular: C13H16N2O2
Molecular Mass: 232.27834
Monoisotopic Mass: 232.12117776
SMILES and InChIs

SMILES:
C1(=O)[C@@](N(C(=O)N1C)C)(CC)c1ccccc1
Canonical SMILES:
CC[C@]1(c2ccccc2)N(C)C(=O)N(C1=O)C
InChI:
InChI=1S/C13H16N2O2/c1-4-13(10-8-6-5-7-9-10)11(16)14(2)12(17)15(13)3/h5-9H,4H2,1-3H3/t13-/m1/s1
InChIKey:
UOKWEFNDJRRNST-CYBMUJFWSA-N

Cite this record

CBID:173921 http://www.chembase.cn/molecule-173921.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(5R)-5-ethyl-1,3-dimethyl-5-phenylimidazolidine-2,4-dione
IUPAC Traditional name
(5R)-5-ethyl-1,3-dimethyl-5-phenylimidazolidine-2,4-dione
Synonyms
[(R)-1,3-Dimethyl-5-Ethyl-5-phenylhydantoin]
(R)-5-Ethyl-1,3-dimethyl-5-phenyl-2,4-imidazolidinedione
(R)-1-Methylmephenytoin
CAS Number
201606-44-2
PubChem SID
164229831
PubChem CID
29983914

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC M320475 external link Add to cart
PubChem 29983914 external link
Data Source Data ID Price
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Data Source Data ID
PubChem 29983914 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8888494  LogD (pH = 7.4) 1.8888494 
Log P 1.8888494  Molar Refractivity 64.4347 cm3
Polarizability 24.905256 Å3 Polar Surface Area 40.62 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Acetone expand Show data source
Chloroform expand Show data source
Dichloromethane expand Show data source
Apperance
White Crystalline Solid expand Show data source
Melting Point
89-90°C expand Show data source
Storage Condition
Refrigerator expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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  • •  Shimada: Anal. Biochem., 147, 174 (1975)
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PATENTS

PATENTS

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INTERNET

INTERNET

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