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

C14H14Cl2N2O5S — CID 11925800

IUPAC(5R)-5-(2,4-dichlorophenyl)-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N([C@H]2CS(=O)(=O)C[C@@H]2O)C1=O
InChIInChI=1S/C14H14Cl2N2O5S/c1-14(8-3-2-7(15)4-9(8)16)12(20)18(13(21)17-14)10-5-24(22,23)6-11(10)19/h2-4,10-11,19H,5-6H2,1H3,(H,17,21)/t10-,11-,14+/m0/s1
InChIKeyDFIIVKFQWVDDIF-COPLHBTASA-N
MW393.25 g/mol
LogP0.92
Rot. Bonds2

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

(5R)-5-(2,4-dichlorophenyl)-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-methylimidazolidine-2,4-dione (PubChem CID 11925800) has the molecular formula C14H14Cl2N2O5S and a molecular weight of 393.25 g/mol. Its IUPAC name is (5R)-5-(2,4-dichlorophenyl)-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(2,4-dichlorophenyl)-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-methylimidazolidine-2,4-dione
PubChem CID11925800
Molecular FormulaC14H14Cl2N2O5S
Molecular Weight393.25 g/mol
Exact Mass392.00
IUPAC Name(5R)-5-(2,4-dichlorophenyl)-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N([C@H]2CS(=O)(=O)C[C@@H]2O)C1=O
InChIInChI=1S/C14H14Cl2N2O5S/c1-14(8-3-2-7(15)4-9(8)16)12(20)18(13(21)17-14)10-5-24(22,23)6-11(10)19/h2-4,10-11,19H,5-6H2,1H3,(H,17,21)/t10-,11-,14+/m0/s1
InChIKeyDFIIVKFQWVDDIF-COPLHBTASA-N
XLogP0.92
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.25
LogP ≤ 50.92
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

2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 56517370
2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 56517465
5-(2-Chloro-4-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione
CID 60249081
2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)acetamide
CID 17559534
3-[(2,4-Dichlorophenyl)methyl]-5-(2-methylsulfonylethyl)imidazolidine-2,4-dione
CID 42921138
2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 2126167
2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 2126168
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 2646959
2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 2646960
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 2646961
2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 2646979
2-[(4R)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 2646980

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(2,4-dichlorophenyl)-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(2,4-dichlorophenyl)-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-methylimidazolidine-2,4-dione (CID 11925800) is (5R)-5-(2,4-dichlorophenyl)-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(2,4-dichlorophenyl)-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(2,4-dichlorophenyl)-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-methylimidazolidine-2,4-dione is C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N([C@H]2CS(=O)(=O)C[C@@H]2O)C1=O.
What is the InChIKey of (5R)-5-(2,4-dichlorophenyl)-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-methylimidazolidine-2,4-dione?
The InChIKey is DFIIVKFQWVDDIF-COPLHBTASA-N. The full InChI is InChI=1S/C14H14Cl2N2O5S/c1-14(8-3-2-7(15)4-9(8)16)12(20)18(13(21)17-14)10-5-24(22,23)6-11(10)19/h2-4,10-11,19H,5-6H2,1H3,(H,17,21)/t10-,11-,14+/m0/s1.
What are the key properties of (5R)-5-(2,4-dichlorophenyl)-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-methylimidazolidine-2,4-dione?
(5R)-5-(2,4-dichlorophenyl)-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-methylimidazolidine-2,4-dione has a molecular weight of 393.25 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(2,4-dichlorophenyl)-3-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 11925800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).