Home > Compound List > Compound details
 molecular structure
click picture or here to close

5-(piperidin-4-yl)-3-[2-(propan-2-ylsulfanyl)ethyl]-5-(pyridin-2-yl)imidazolidine-2,4-dione

ChemBase ID: 450032
Molecular Formular: C18H26N4O2S
Molecular Mass: 362.48964
Monoisotopic Mass: 362.17764709
SMILES and InChIs

SMILES:
C1(C(=O)N(C(=O)N1)CCSC(C)C)(c1ncccc1)C1CCNCC1
Canonical SMILES:
CC(SCCN1C(=O)NC(C1=O)(C1CCNCC1)c1ccccn1)C
InChI:
InChI=1S/C18H26N4O2S/c1-13(2)25-12-11-22-16(23)18(21-17(22)24,14-6-9-19-10-7-14)15-5-3-4-8-20-15/h3-5,8,13-14,19H,6-7,9-12H2,1-2H3,(H,21,24)
InChIKey:
QIBIMKUSXKDOMT-UHFFFAOYSA-N

Cite this record

CBID:450032 http://www.chembase.cn/molecule-450032.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(piperidin-4-yl)-3-[2-(propan-2-ylsulfanyl)ethyl]-5-(pyridin-2-yl)imidazolidine-2,4-dione
IUPAC Traditional name
3-[2-(isopropylsulfanyl)ethyl]-5-(piperidin-4-yl)-5-(pyridin-2-yl)imidazolidine-2,4-dione
Synonyms
3-[2-(isopropylthio)ethyl]-5-piperidin-4-yl-5-pyridin-2-ylimidazolidine-2,4-dione

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 30662481 external link Add to cart
Data Source Data ID Price
ChemBridge
30662481 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 10.926263  H Acceptors
H Donor LogD (pH = 5.5) -1.8107848 
LogD (pH = 7.4) -1.1333677  Log P 1.011054 
Molar Refractivity 99.1026 cm3 Polarizability 38.922146 Å3
Polar Surface Area 74.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.14  LOG S -3.67 
Polar Surface Area 74.33 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

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