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

C18H18N2O2S — CID 102066490

IUPAC5,5-diphenyl-3-(3-sulfanylpropyl)imidazolidine-2,4-dione
SMILESO=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCS
InChIInChI=1S/C18H18N2O2S/c21-16-18(14-8-3-1-4-9-14,15-10-5-2-6-11-15)19-17(22)20(16)12-7-13-23/h1-6,8-11,23H,7,12-13H2,(H,19,22)
InChIKeyPBJIFBUUAQXLDF-UHFFFAOYSA-N
MW326.42 g/mol
LogP2.80
Rot. Bonds5

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

5,5-diphenyl-3-(3-sulfanylpropyl)imidazolidine-2,4-dione (PubChem CID 102066490) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 5,5-diphenyl-3-(3-sulfanylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-diphenyl-3-(3-sulfanylpropyl)imidazolidine-2,4-dione
PubChem CID102066490
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name5,5-diphenyl-3-(3-sulfanylpropyl)imidazolidine-2,4-dione
SMILESO=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCS
InChIInChI=1S/C18H18N2O2S/c21-16-18(14-8-3-1-4-9-14,15-10-5-2-6-11-15)19-17(22)20(16)12-7-13-23/h1-6,8-11,23H,7,12-13H2,(H,19,22)
InChIKeyPBJIFBUUAQXLDF-UHFFFAOYSA-N
XLogP2.80
TPSA49.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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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-(4-phenylsulfanylbutyl)imidazolidine-2,4-dione
CID 2221675
2-amino-5-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)pentanoic acid
CID 3084726
S-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl] 2-aminoethanethioate
CID 54266354
5,5-diphenyl-3-[2-(propan-2-ylamino)ethyl]imidazolidine-2,4-dione
CID 129132203
3-[3-(4-isocyano-4-phenylpiperidin-1-yl)propyl]-5,5-diphenylimidazolidine-2,4-dione
CID 22960997
3-[3-(2-nitrophenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione
CID 2221340
1-[3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)propyl]-4-phenylpiperidine-4-carbonitrile
CID 10299367
(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methoxy-oxophosphanium
CID 173376528
5,5-diphenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 21481466
N-[4-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)butyl]-2-pyridin-4-ylacetamide
CID 70826266

Frequently Asked Questions

What is the IUPAC name of 5,5-diphenyl-3-(3-sulfanylpropyl)imidazolidine-2,4-dione?
The IUPAC name of 5,5-diphenyl-3-(3-sulfanylpropyl)imidazolidine-2,4-dione (CID 102066490) is 5,5-diphenyl-3-(3-sulfanylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-diphenyl-3-(3-sulfanylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for 5,5-diphenyl-3-(3-sulfanylpropyl)imidazolidine-2,4-dione is O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCS.
What is the InChIKey of 5,5-diphenyl-3-(3-sulfanylpropyl)imidazolidine-2,4-dione?
The InChIKey is PBJIFBUUAQXLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c21-16-18(14-8-3-1-4-9-14,15-10-5-2-6-11-15)19-17(22)20(16)12-7-13-23/h1-6,8-11,23H,7,12-13H2,(H,19,22).
What are the key properties of 5,5-diphenyl-3-(3-sulfanylpropyl)imidazolidine-2,4-dione?
5,5-diphenyl-3-(3-sulfanylpropyl)imidazolidine-2,4-dione has a molecular weight of 326.42 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diphenyl-3-(3-sulfanylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 102066490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).