3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione

C23H22ClN3O3 — CID 46568858

About 3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione

3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione (PubChem CID 46568858) has the molecular formula C23H22ClN3O3 and a molecular weight of 423.90 g/mol. Its IUPAC name is 3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
• PubChem CID: 46568858
• Molecular Formula: C23H22ClN3O3
• Molecular Weight: 423.90 g/mol
• Exact Mass: 423.13
• IUPAC Name: 3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
• SMILES: CC(C)c1ccc(C2(C)NC(=O)N(Cc3ncc(-c4cccc(Cl)c4)o3)C2=O)cc1
• InChI: InChI=1S/C23H22ClN3O3/c1-14(2)15-7-9-17(10-8-15)23(3)21(28)27(22(29)26-23)13-20-25-12-19(30-20)16-5-4-6-18(24)11-16/h4-12,14H,13H2,1-3H3,(H,26,29)
• InChIKey: SCLWAJYAPWUTKH-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 75.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.90
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione?

The IUPAC name of 3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione (CID 46568858) is 3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione.

What is the SMILES notation for 3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione?

The canonical SMILES for 3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione is CC(C)c1ccc(C2(C)NC(=O)N(Cc3ncc(-c4cccc(Cl)c4)o3)C2=O)cc1.

What is the InChIKey of 3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione?

The InChIKey is SCLWAJYAPWUTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O3/c1-14(2)15-7-9-17(10-8-15)23(3)21(28)27(22(29)26-23)13-20-25-12-19(30-20)16-5-4-6-18(24)11-16/h4-12,14H,13H2,1-3H3,(H,26,29).

What are the key properties of 3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione?

3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione has a molecular weight of 423.90 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 46568858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).