5-methyl-5-phenyl-1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]imidazolidine-2,4-dione

C24H24F3N3O4 — CID 10412657

About 5-methyl-5-phenyl-1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]imidazolidine-2,4-dione

5-methyl-5-phenyl-1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]imidazolidine-2,4-dione (PubChem CID 10412657) has the molecular formula C24H24F3N3O4 and a molecular weight of 475.47 g/mol. Its IUPAC name is 5-methyl-5-phenyl-1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-methyl-5-phenyl-1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]imidazolidine-2,4-dione
• PubChem CID: 10412657
• Molecular Formula: C24H24F3N3O4
• Molecular Weight: 475.47 g/mol
• Exact Mass: 475.17
• IUPAC Name: 5-methyl-5-phenyl-1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]imidazolidine-2,4-dione
• SMILES: CCCc1c(OCCCN2C(=O)NC(=O)C2(C)c2ccccc2)ccc2c(C(F)(F)F)noc12
• InChI: InChI=1S/C24H24F3N3O4/c1-3-8-16-18(12-11-17-19(16)34-29-20(17)24(25,26)27)33-14-7-13-30-22(32)28-21(31)23(30,2)15-9-5-4-6-10-15/h4-6,9-12H,3,7-8,13-14H2,1-2H3,(H,28,31,32)
• InChIKey: LIAKTLOTUZQKSM-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 84.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.47
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-phenyl-1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]imidazolidine-2,4-dione?

The IUPAC name of 5-methyl-5-phenyl-1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]imidazolidine-2,4-dione (CID 10412657) is 5-methyl-5-phenyl-1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]imidazolidine-2,4-dione.

What is the SMILES notation for 5-methyl-5-phenyl-1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]imidazolidine-2,4-dione?

The canonical SMILES for 5-methyl-5-phenyl-1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]imidazolidine-2,4-dione is CCCc1c(OCCCN2C(=O)NC(=O)C2(C)c2ccccc2)ccc2c(C(F)(F)F)noc12.

What is the InChIKey of 5-methyl-5-phenyl-1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]imidazolidine-2,4-dione?

The InChIKey is LIAKTLOTUZQKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O4/c1-3-8-16-18(12-11-17-19(16)34-29-20(17)24(25,26)27)33-14-7-13-30-22(32)28-21(31)23(30,2)15-9-5-4-6-10-15/h4-6,9-12H,3,7-8,13-14H2,1-2H3,(H,28,31,32).

What are the key properties of 5-methyl-5-phenyl-1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]imidazolidine-2,4-dione?

5-methyl-5-phenyl-1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]imidazolidine-2,4-dione has a molecular weight of 475.47 g/mol, XLogP of 5.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-5-phenyl-1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 10412657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).