(5R)-5-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-(4-propanoylphenoxy)propyl]-5-methylimidazolidine-2,4-dione

C22H22Cl2N2O5 — CID 26715930

IUPAC(5R)-5-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-(4-propanoylphenoxy)propyl]-5-methylimidazolidine-2,4-dione
SMILESCCC(=O)c1ccc(OC[C@H](O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3Cl)C2=O)cc1
InChIInChI=1S/C22H22Cl2N2O5/c1-3-19(28)13-4-7-16(8-5-13)31-12-15(27)11-26-20(29)22(2,25-21(26)30)17-9-6-14(23)10-18(17)24/h4-10,15,27H,3,11-12H2,1-2H3,(H,25,30)/t15-,22-/m1/s1
InChIKeyJHPQHJRYLRDBGV-IVZQSRNASA-N
MW465.33 g/mol
LogP3.79
Rot. Bonds8

About (5R)-5-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-(4-propanoylphenoxy)propyl]-5-methylimidazolidine-2,4-dione

(5R)-5-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-(4-propanoylphenoxy)propyl]-5-methylimidazolidine-2,4-dione (PubChem CID 26715930) has the molecular formula C22H22Cl2N2O5 and a molecular weight of 465.33 g/mol. Its IUPAC name is (5R)-5-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-(4-propanoylphenoxy)propyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-(4-propanoylphenoxy)propyl]-5-methylimidazolidine-2,4-dione
PubChem CID26715930
Molecular FormulaC22H22Cl2N2O5
Molecular Weight465.33 g/mol
Exact Mass464.09
IUPAC Name(5R)-5-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-(4-propanoylphenoxy)propyl]-5-methylimidazolidine-2,4-dione
SMILESCCC(=O)c1ccc(OC[C@H](O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3Cl)C2=O)cc1
InChIInChI=1S/C22H22Cl2N2O5/c1-3-19(28)13-4-7-16(8-5-13)31-12-15(27)11-26-20(29)22(2,25-21(26)30)17-9-6-14(23)10-18(17)24/h4-10,15,27H,3,11-12H2,1-2H3,(H,25,30)/t15-,22-/m1/s1
InChIKeyJHPQHJRYLRDBGV-IVZQSRNASA-N
XLogP3.79
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.33
LogP ≤ 53.79
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

N-[4-[3-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 55665529
methyl 4-[3-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-hydroxypropoxy]benzoate
CID 47094642
3-[2-hydroxy-3-(4-propanoylphenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione
CID 55410388
3-[3-(4-chlorophenoxy)-2-hydroxypropyl]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
CID 46796671
5-(2,4-dichlorophenyl)-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-methylimidazolidine-2,4-dione
CID 47556171
(5S)-5-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-5-methylimidazolidine-2,4-dione
CID 95342863
3-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-5-(2,3-dihydro-1H-inden-5-yl)-5-methylimidazolidine-2,4-dione
CID 75671649
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 4532304
3-[2-hydroxy-3-(4-methylphenoxy)propyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51222999
3-[(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 26011422
3-[3-(4-acetylphenoxy)-2-hydroxypropyl]-5-methyl-5-(3-nitrophenyl)imidazolidine-2,4-dione
CID 55685017
2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 2704475

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-(4-propanoylphenoxy)propyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-(4-propanoylphenoxy)propyl]-5-methylimidazolidine-2,4-dione (CID 26715930) is (5R)-5-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-(4-propanoylphenoxy)propyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-(4-propanoylphenoxy)propyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-(4-propanoylphenoxy)propyl]-5-methylimidazolidine-2,4-dione is CCC(=O)c1ccc(OC[C@H](O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3Cl)C2=O)cc1.
What is the InChIKey of (5R)-5-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-(4-propanoylphenoxy)propyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is JHPQHJRYLRDBGV-IVZQSRNASA-N. The full InChI is InChI=1S/C22H22Cl2N2O5/c1-3-19(28)13-4-7-16(8-5-13)31-12-15(27)11-26-20(29)22(2,25-21(26)30)17-9-6-14(23)10-18(17)24/h4-10,15,27H,3,11-12H2,1-2H3,(H,25,30)/t15-,22-/m1/s1.
What are the key properties of (5R)-5-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-(4-propanoylphenoxy)propyl]-5-methylimidazolidine-2,4-dione?
(5R)-5-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-(4-propanoylphenoxy)propyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 465.33 g/mol, XLogP of 3.79, 8 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-[(2R)-2-hydroxy-3-(4-propanoylphenoxy)propyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 26715930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).