5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-5-phenyl-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione

C25H25F6N3O3 — CID 22960781

About 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-5-phenyl-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione

5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-5-phenyl-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione (PubChem CID 22960781) has the molecular formula C25H25F6N3O3 and a molecular weight of 529.48 g/mol. Its IUPAC name is 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-5-phenyl-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-5-phenyl-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
• PubChem CID: 22960781
• Molecular Formula: C25H25F6N3O3
• Molecular Weight: 529.48 g/mol
• Exact Mass: 529.18
• IUPAC Name: 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-5-phenyl-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
• SMILES: O=C1NC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C(=O)N1CCN1CCCC1
• InChI: InChI=1S/C25H25F6N3O3/c26-24(27,28)19-12-17(13-20(14-19)25(29,30)31)15-37-16-23(18-6-2-1-3-7-18)21(35)34(22(36)32-23)11-10-33-8-4-5-9-33/h1-3,6-7,12-14H,4-5,8-11,15-16H2,(H,32,36)
• InChIKey: FSSIUSHLDKHOEO-UHFFFAOYSA-N
• XLogP: 4.78
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.48
LogP ≤ 5	4.78
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 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-5-phenyl-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione?

The IUPAC name of 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-5-phenyl-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione (CID 22960781) is 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-5-phenyl-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione.

What is the SMILES notation for 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-5-phenyl-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione?

The canonical SMILES for 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-5-phenyl-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione is O=C1NC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C(=O)N1CCN1CCCC1.

What is the InChIKey of 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-5-phenyl-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione?

The InChIKey is FSSIUSHLDKHOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F6N3O3/c26-24(27,28)19-12-17(13-20(14-19)25(29,30)31)15-37-16-23(18-6-2-1-3-7-18)21(35)34(22(36)32-23)11-10-33-8-4-5-9-33/h1-3,6-7,12-14H,4-5,8-11,15-16H2,(H,32,36).

What are the key properties of 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-5-phenyl-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione?

5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-5-phenyl-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione has a molecular weight of 529.48 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-5-phenyl-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 22960781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).