5-(2-chloro-4-fluorophenyl)-5-methyl-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione

C20H16ClFN4O3 — CID 56520117

About 5-(2-chloro-4-fluorophenyl)-5-methyl-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione

5-(2-chloro-4-fluorophenyl)-5-methyl-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione (PubChem CID 56520117) has the molecular formula C20H16ClFN4O3 and a molecular weight of 414.82 g/mol. Its IUPAC name is 5-(2-chloro-4-fluorophenyl)-5-methyl-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-(2-chloro-4-fluorophenyl)-5-methyl-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione
• PubChem CID: 56520117
• Molecular Formula: C20H16ClFN4O3
• Molecular Weight: 414.82 g/mol
• Exact Mass: 414.09
• IUPAC Name: 5-(2-chloro-4-fluorophenyl)-5-methyl-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione
• SMILES: Cc1cccc(-c2noc(CN3C(=O)NC(C)(c4ccc(F)cc4Cl)C3=O)n2)c1
• InChI: InChI=1S/C20H16ClFN4O3/c1-11-4-3-5-12(8-11)17-23-16(29-25-17)10-26-18(27)20(2,24-19(26)28)14-7-6-13(22)9-15(14)21/h3-9H,10H2,1-2H3,(H,24,28)
• InChIKey: CLQICGKFBRHHOQ-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.82
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-fluorophenyl)-5-methyl-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione?

The IUPAC name of 5-(2-chloro-4-fluorophenyl)-5-methyl-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione (CID 56520117) is 5-(2-chloro-4-fluorophenyl)-5-methyl-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione.

What is the SMILES notation for 5-(2-chloro-4-fluorophenyl)-5-methyl-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione?

The canonical SMILES for 5-(2-chloro-4-fluorophenyl)-5-methyl-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione is Cc1cccc(-c2noc(CN3C(=O)NC(C)(c4ccc(F)cc4Cl)C3=O)n2)c1.

What is the InChIKey of 5-(2-chloro-4-fluorophenyl)-5-methyl-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione?

The InChIKey is CLQICGKFBRHHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN4O3/c1-11-4-3-5-12(8-11)17-23-16(29-25-17)10-26-18(27)20(2,24-19(26)28)14-7-6-13(22)9-15(14)21/h3-9H,10H2,1-2H3,(H,24,28).

What are the key properties of 5-(2-chloro-4-fluorophenyl)-5-methyl-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione?

5-(2-chloro-4-fluorophenyl)-5-methyl-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 414.82 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-chloro-4-fluorophenyl)-5-methyl-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 56520117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).