(5R)-5-benzyl-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-phenylimidazolidine-2,4-dione

C20H20N2O5S — CID 11925874

IUPAC(5R)-5-benzyl-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-phenylimidazolidine-2,4-dione
SMILESO=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1[C@H]1CS(=O)(=O)C[C@@H]1O
InChIInChI=1S/C20H20N2O5S/c23-17-13-28(26,27)12-16(17)22-18(24)20(21-19(22)25,15-9-5-2-6-10-15)11-14-7-3-1-4-8-14/h1-10,16-17,23H,11-13H2,(H,21,25)/t16-,17-,20+/m0/s1
InChIKeyFEZIREXIHDLWBX-ABSDTBQOSA-N
MW400.46 g/mol
LogP0.83
Rot. Bonds4

About (5R)-5-benzyl-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-phenylimidazolidine-2,4-dione

(5R)-5-benzyl-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-phenylimidazolidine-2,4-dione (PubChem CID 11925874) has the molecular formula C20H20N2O5S and a molecular weight of 400.46 g/mol. Its IUPAC name is (5R)-5-benzyl-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-benzyl-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-phenylimidazolidine-2,4-dione
PubChem CID11925874
Molecular FormulaC20H20N2O5S
Molecular Weight400.46 g/mol
Exact Mass400.11
IUPAC Name(5R)-5-benzyl-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-phenylimidazolidine-2,4-dione
SMILESO=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1[C@H]1CS(=O)(=O)C[C@@H]1O
InChIInChI=1S/C20H20N2O5S/c23-17-13-28(26,27)12-16(17)22-18(24)20(21-19(22)25,15-9-5-2-6-10-15)11-14-7-3-1-4-8-14/h1-10,16-17,23H,11-13H2,(H,21,25)/t16-,17-,20+/m0/s1
InChIKeyFEZIREXIHDLWBX-ABSDTBQOSA-N
XLogP0.83
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 11925838
(3S)-3'-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 11925778
(4R)-3'-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 11925743
2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 2647082
2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 41167520
(5S)-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 11925914
(4R)-3'-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 11925906
(5S)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-benzyl-5-phenylimidazolidine-2,4-dione
CID 2705375
(5R)-5-benzyl-3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 7240320
2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 2667132
2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-cyclohexylacetamide
CID 40617195
(5R)-5-benzyl-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 7300133

Frequently Asked Questions

What is the IUPAC name of (5R)-5-benzyl-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-benzyl-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-phenylimidazolidine-2,4-dione (CID 11925874) is (5R)-5-benzyl-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-benzyl-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-benzyl-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-phenylimidazolidine-2,4-dione is O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1[C@H]1CS(=O)(=O)C[C@@H]1O.
What is the InChIKey of (5R)-5-benzyl-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-phenylimidazolidine-2,4-dione?
The InChIKey is FEZIREXIHDLWBX-ABSDTBQOSA-N. The full InChI is InChI=1S/C20H20N2O5S/c23-17-13-28(26,27)12-16(17)22-18(24)20(21-19(22)25,15-9-5-2-6-10-15)11-14-7-3-1-4-8-14/h1-10,16-17,23H,11-13H2,(H,21,25)/t16-,17-,20+/m0/s1.
What are the key properties of (5R)-5-benzyl-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-phenylimidazolidine-2,4-dione?
(5R)-5-benzyl-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-phenylimidazolidine-2,4-dione has a molecular weight of 400.46 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-benzyl-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 11925874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).