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68524-21-0 molecular structure
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5-methyl-5-[4-(3-methylbutoxy)phenyl]imidazolidine-2,4-dione

ChemBase ID: 250784
Molecular Formular: C15H20N2O3
Molecular Mass: 276.3309
Monoisotopic Mass: 276.14739251
SMILES and InChIs

SMILES:
N1C(=O)C(NC1=O)(c1ccc(cc1)OCCC(C)C)C
Canonical SMILES:
CC(CCOc1ccc(cc1)C1(C)NC(=O)NC1=O)C
InChI:
InChI=1S/C15H20N2O3/c1-10(2)8-9-20-12-6-4-11(5-7-12)15(3)13(18)16-14(19)17-15/h4-7,10H,8-9H2,1-3H3,(H2,16,17,18,19)
InChIKey:
QNZJWTRKDHNKFB-UHFFFAOYSA-N

Cite this record

CBID:250784 http://www.chembase.cn/molecule-250784.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-methyl-5-[4-(3-methylbutoxy)phenyl]imidazolidine-2,4-dione
IUPAC Traditional name
5-methyl-5-[4-(3-methylbutoxy)phenyl]imidazolidine-2,4-dione
Synonyms
5-methyl-5-[4-(3-methylbutoxy)phenyl]imidazolidine-2,4-dione
CAS Number
68524-21-0
MDL Number
MFCD00421421
PubChem SID
164306694
PubChem CID
2835307

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-15254 external link Add to cart Please log in.
Data Source Data ID
PubChem 2835307 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.804127  H Acceptors
H Donor LogD (pH = 5.5) 2.3722003 
LogD (pH = 7.4) 2.370532  Log P 2.3722217 
Molar Refractivity 75.0027 cm3 Polarizability 29.273167 Å3
Polar Surface Area 67.43 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
110 - 112°C expand Show data source
Hydrophobicity(logP)
2.951 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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