5-(2,4-dichlorophenyl)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione

C21H17Cl2N3O4 — CID 24576784

IUPAC5-(2,4-dichlorophenyl)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(-c2cc(CN3C(=O)NC(C)(c4ccc(Cl)cc4Cl)C3=O)on2)cc1
InChIInChI=1S/C21H17Cl2N3O4/c1-21(16-8-5-13(22)9-17(16)23)19(27)26(20(28)24-21)11-15-10-18(25-30-15)12-3-6-14(29-2)7-4-12/h3-10H,11H2,1-2H3,(H,24,28)
InChIKeyIYNNUSLEGNRMDP-UHFFFAOYSA-N
MW446.29 g/mol
LogP4.62
Rot. Bonds5

About 5-(2,4-dichlorophenyl)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione

5-(2,4-dichlorophenyl)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 24576784) has the molecular formula C21H17Cl2N3O4 and a molecular weight of 446.29 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
PubChem CID24576784
Molecular FormulaC21H17Cl2N3O4
Molecular Weight446.29 g/mol
Exact Mass445.06
IUPAC Name5-(2,4-dichlorophenyl)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(-c2cc(CN3C(=O)NC(C)(c4ccc(Cl)cc4Cl)C3=O)on2)cc1
InChIInChI=1S/C21H17Cl2N3O4/c1-21(16-8-5-13(22)9-17(16)23)19(27)26(20(28)24-21)11-15-10-18(25-30-15)12-3-6-14(29-2)7-4-12/h3-10H,11H2,1-2H3,(H,24,28)
InChIKeyIYNNUSLEGNRMDP-UHFFFAOYSA-N
XLogP4.62
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.29
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4-methoxyphenyl)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 24576777
5-(2-chloro-4-fluorophenyl)-3-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 56519349
5-(2,4-dichlorophenyl)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 43030300
2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 2703067
(5S)-5-(2,4-dichlorophenyl)-5-methyl-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4-dione
CID 2122122
(5R)-5-(methoxymethyl)-5-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione
CID 95166190
(5S)-5-(2-chloro-4-fluorophenyl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 99115182
2-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetonitrile
CID 2691204
5-(4-chlorophenyl)-3-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 18284857
1-butyl-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]imidazolidine-2,4,5-trione
CID 24577195
(5S)-5-(2,4-dichlorophenyl)-3-(3-methoxy-3-methyl-2-oxobutyl)-5-methylimidazolidine-2,4-dione
CID 124872753
5-(2-chloro-4-fluorophenyl)-3-[(4-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 56518049

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(2,4-dichlorophenyl)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione (CID 24576784) is 5-(2,4-dichlorophenyl)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(2,4-dichlorophenyl)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione is COc1ccc(-c2cc(CN3C(=O)NC(C)(c4ccc(Cl)cc4Cl)C3=O)on2)cc1.
What is the InChIKey of 5-(2,4-dichlorophenyl)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is IYNNUSLEGNRMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N3O4/c1-21(16-8-5-13(22)9-17(16)23)19(27)26(20(28)24-21)11-15-10-18(25-30-15)12-3-6-14(29-2)7-4-12/h3-10H,11H2,1-2H3,(H,24,28).
What are the key properties of 5-(2,4-dichlorophenyl)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione?
5-(2,4-dichlorophenyl)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 446.29 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 24576784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).