Home > Compound List > Compound details
27886-67-5 molecular structure
click picture or here to close

5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione

ChemBase ID: 251086
Molecular Formular: C8H14N2O2
Molecular Mass: 170.20896
Monoisotopic Mass: 170.1055277
SMILES and InChIs

SMILES:
N1C(=O)NC(C1=O)(CC(C)C)C
Canonical SMILES:
CC(CC1(C)NC(=O)NC1=O)C
InChI:
InChI=1S/C8H14N2O2/c1-5(2)4-8(3)6(11)9-7(12)10-8/h5H,4H2,1-3H3,(H2,9,10,11,12)
InChIKey:
PGCSVDXEADVLRG-UHFFFAOYSA-N

Cite this record

CBID:251086 http://www.chembase.cn/molecule-251086.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
IUPAC Traditional name
5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
Synonyms
5-isobutyl-5-methylimidazolidine-2,4-dione
CAS Number
27886-67-5
MDL Number
MFCD00037882
PubChem SID
164306996
PubChem CID
141385

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-17091 external link Add to cart Please log in.
Data Source Data ID
PubChem 141385 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.196633  H Acceptors
H Donor LogD (pH = 5.5) 0.80541116 
LogD (pH = 7.4) 0.8047346  Log P 0.8054198 
Molar Refractivity 43.9269 cm3 Polarizability 17.197067 Å3
Polar Surface Area 58.2 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
145 - 147°C expand Show data source
Hydrophobicity(logP)
0.804 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle