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

1-[4-(3-{[4-(propan-2-yl)phenyl]amino}piperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione

ChemBase ID: 323503
Molecular Formular: C24H28N4O3
Molecular Mass: 420.50412
Monoisotopic Mass: 420.21614078
SMILES and InChIs

SMILES:
C1(=O)NC(=O)CN1c1ccc(C(=O)N2CC(Nc3ccc(cc3)C(C)C)CCC2)cc1
Canonical SMILES:
O=C1NC(=O)N(C1)c1ccc(cc1)C(=O)N1CCCC(C1)Nc1ccc(cc1)C(C)C
InChI:
InChI=1S/C24H28N4O3/c1-16(2)17-5-9-19(10-6-17)25-20-4-3-13-27(14-20)23(30)18-7-11-21(12-8-18)28-15-22(29)26-24(28)31/h5-12,16,20,25H,3-4,13-15H2,1-2H3,(H,26,29,31)
InChIKey:
HMCQHIXNZFPPCK-UHFFFAOYSA-N

Cite this record

CBID:323503 http://www.chembase.cn/molecule-323503.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[4-(3-{[4-(propan-2-yl)phenyl]amino}piperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione
IUPAC Traditional name
1-(4-{3-[(4-isopropylphenyl)amino]piperidine-1-carbonyl}phenyl)imidazolidine-2,4-dione
Synonyms
1-[4-({3-[(4-isopropylphenyl)amino]-1-piperidinyl}carbonyl)phenyl]-2,4-imidazolidinedione

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 11442486 external link Add to cart
Data Source Data ID Price
ChemBridge
11442486 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 9.064524  H Acceptors
H Donor LogD (pH = 5.5) 2.6138785 
LogD (pH = 7.4) 2.7038624  Log P 2.7144792 
Molar Refractivity 120.277 cm3 Polarizability 45.025494 Å3
Polar Surface Area 81.75 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.12  LOG S -5.46 
Polar Surface Area 81.75 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