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2211-33-8 molecular structure
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1-phenylimidazolidine-2,4,5-trione

ChemBase ID: 250062
Molecular Formular: C9H6N2O3
Molecular Mass: 190.15554
Monoisotopic Mass: 190.03784206
SMILES and InChIs

SMILES:
N1(C(=O)NC(=O)C1=O)c1ccccc1
Canonical SMILES:
O=C1NC(=O)N(C1=O)c1ccccc1
InChI:
InChI=1S/C9H6N2O3/c12-7-8(13)11(9(14)10-7)6-4-2-1-3-5-6/h1-5H,(H,10,12,14)
InChIKey:
AVIPDXGMHBJIGG-UHFFFAOYSA-N

Cite this record

CBID:250062 http://www.chembase.cn/molecule-250062.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-phenylimidazolidine-2,4,5-trione
IUPAC Traditional name
N-phenyl-2,4,5-imidazolitrione
Synonyms
1-phenylimidazolidine-2,4,5-trione
CAS Number
2211-33-8
MDL Number
MFCD07339363
PubChem SID
164305972
PubChem CID
577259

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-14237 external link Add to cart Please log in.
Data Source Data ID
PubChem 577259 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.7581434  H Acceptors
H Donor LogD (pH = 5.5) 0.65489984 
LogD (pH = 7.4) -0.031950213  Log P 0.6779571 
Molar Refractivity 46.0999 cm3 Polarizability 17.679028 Å3
Polar Surface Area 66.48 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
213 - 215°C expand Show data source
Hydrophobicity(logP)
-0.285 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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