5-(3,4-dimethoxyphenyl)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione

C23H24N4O7 — CID 47094335

About 5-(3,4-dimethoxyphenyl)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione

5-(3,4-dimethoxyphenyl)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 47094335) has the molecular formula C23H24N4O7 and a molecular weight of 468.47 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-(3,4-dimethoxyphenyl)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
• PubChem CID: 47094335
• Molecular Formula: C23H24N4O7
• Molecular Weight: 468.47 g/mol
• Exact Mass: 468.16
• IUPAC Name: 5-(3,4-dimethoxyphenyl)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
• SMILES: COc1ccc(-c2noc(CN3C(=O)NC(C)(c4ccc(OC)c(OC)c4)C3=O)n2)cc1OC
• InChI: InChI=1S/C23H24N4O7/c1-23(14-7-9-16(31-3)18(11-14)33-5)21(28)27(22(29)25-23)12-19-24-20(26-34-19)13-6-8-15(30-2)17(10-13)32-4/h6-11H,12H2,1-5H3,(H,25,29)
• InChIKey: CFKJCKITBKFUSP-UHFFFAOYSA-N
• XLogP: 2.74
• TPSA: 125.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.47
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione?

The IUPAC name of 5-(3,4-dimethoxyphenyl)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione (CID 47094335) is 5-(3,4-dimethoxyphenyl)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione.

What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione?

The canonical SMILES for 5-(3,4-dimethoxyphenyl)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione is COc1ccc(-c2noc(CN3C(=O)NC(C)(c4ccc(OC)c(OC)c4)C3=O)n2)cc1OC.

What is the InChIKey of 5-(3,4-dimethoxyphenyl)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione?

The InChIKey is CFKJCKITBKFUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O7/c1-23(14-7-9-16(31-3)18(11-14)33-5)21(28)27(22(29)25-23)12-19-24-20(26-34-19)13-6-8-15(30-2)17(10-13)32-4/h6-11H,12H2,1-5H3,(H,25,29).

What are the key properties of 5-(3,4-dimethoxyphenyl)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione?

5-(3,4-dimethoxyphenyl)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 468.47 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,4-dimethoxyphenyl)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 47094335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).