5,5-diphenyl-3-(4-phenylsulfanylbutyl)imidazolidine-2,4-dione

C25H24N2O2S — CID 2221675

IUPAC5,5-diphenyl-3-(4-phenylsulfanylbutyl)imidazolidine-2,4-dione
SMILESO=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCCSc1ccccc1
InChIInChI=1S/C25H24N2O2S/c28-23-25(20-12-4-1-5-13-20,21-14-6-2-7-15-21)26-24(29)27(23)18-10-11-19-30-22-16-8-3-9-17-22/h1-9,12-17H,10-11,18-19H2,(H,26,29)
InChIKeyDSNMDPJFONXBJN-UHFFFAOYSA-N
MW416.55 g/mol
LogP5.05
Rot. Bonds8

About 5,5-diphenyl-3-(4-phenylsulfanylbutyl)imidazolidine-2,4-dione

5,5-diphenyl-3-(4-phenylsulfanylbutyl)imidazolidine-2,4-dione (PubChem CID 2221675) has the molecular formula C25H24N2O2S and a molecular weight of 416.55 g/mol. Its IUPAC name is 5,5-diphenyl-3-(4-phenylsulfanylbutyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-diphenyl-3-(4-phenylsulfanylbutyl)imidazolidine-2,4-dione
PubChem CID2221675
Molecular FormulaC25H24N2O2S
Molecular Weight416.55 g/mol
Exact Mass416.16
IUPAC Name5,5-diphenyl-3-(4-phenylsulfanylbutyl)imidazolidine-2,4-dione
SMILESO=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCCSc1ccccc1
InChIInChI=1S/C25H24N2O2S/c28-23-25(20-12-4-1-5-13-20,21-14-6-2-7-15-21)26-24(29)27(23)18-10-11-19-30-22-16-8-3-9-17-22/h1-9,12-17H,10-11,18-19H2,(H,26,29)
InChIKeyDSNMDPJFONXBJN-UHFFFAOYSA-N
XLogP5.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.55
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 5,5-diphenyl-3-(4-phenylsulfanylbutyl)imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-decyl-5,5-diphenylimidazolidine-2,4-dione
CID 11696827
3-hexyl-5,5-diphenylimidazolidine-2,4-dione
CID 24860362
5,5-diphenyl-3-(3-sulfanylpropyl)imidazolidine-2,4-dione
CID 102066490
S-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl] 2-aminoethanethioate
CID 54266354
2-amino-5-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)pentanoic acid
CID 3084726
3-[3-(2-nitrophenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione
CID 2221340
S-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl] 2-formamidoethanethioate
CID 23467951
3-[6-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxyhexyl]-5,5-diphenylimidazolidine-2,4-dione
CID 67922072
5,5-diphenyl-3-[2-(propan-2-ylamino)ethyl]imidazolidine-2,4-dione
CID 129132203
N-[4-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)butyl]-2-pyridin-4-ylacetamide
CID 70826266
3-[3-(4-isocyano-4-phenylpiperidin-1-yl)propyl]-5,5-diphenylimidazolidine-2,4-dione
CID 22960997
ethyl 2-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethoxy]acetate
CID 75425557

Frequently Asked Questions

What is the IUPAC name of 5,5-diphenyl-3-(4-phenylsulfanylbutyl)imidazolidine-2,4-dione?
The IUPAC name of 5,5-diphenyl-3-(4-phenylsulfanylbutyl)imidazolidine-2,4-dione (CID 2221675) is 5,5-diphenyl-3-(4-phenylsulfanylbutyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-diphenyl-3-(4-phenylsulfanylbutyl)imidazolidine-2,4-dione?
The canonical SMILES for 5,5-diphenyl-3-(4-phenylsulfanylbutyl)imidazolidine-2,4-dione is O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCCSc1ccccc1.
What is the InChIKey of 5,5-diphenyl-3-(4-phenylsulfanylbutyl)imidazolidine-2,4-dione?
The InChIKey is DSNMDPJFONXBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2S/c28-23-25(20-12-4-1-5-13-20,21-14-6-2-7-15-21)26-24(29)27(23)18-10-11-19-30-22-16-8-3-9-17-22/h1-9,12-17H,10-11,18-19H2,(H,26,29).
What are the key properties of 5,5-diphenyl-3-(4-phenylsulfanylbutyl)imidazolidine-2,4-dione?
5,5-diphenyl-3-(4-phenylsulfanylbutyl)imidazolidine-2,4-dione has a molecular weight of 416.55 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diphenyl-3-(4-phenylsulfanylbutyl)imidazolidine-2,4-dione is sourced from PubChem (CID 2221675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).