5-[2,6-difluoro-4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione

C22H12F5N3O2S — CID 160668686

About 5-[2,6-difluoro-4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione

5-[2,6-difluoro-4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione (PubChem CID 160668686) has the molecular formula C22H12F5N3O2S and a molecular weight of 477.41 g/mol. Its IUPAC name is 5-[2,6-difluoro-4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[2,6-difluoro-4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione
• PubChem CID: 160668686
• Molecular Formula: C22H12F5N3O2S
• Molecular Weight: 477.41 g/mol
• Exact Mass: 477.06
• IUPAC Name: 5-[2,6-difluoro-4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione
• SMILES: O=C1NC(=O)N(c2ccc3c(c2)N=CC3)C1c1c(F)cc(-c2ccc(C(F)(F)F)s2)cc1F
• InChI: InChI=1S/C22H12F5N3O2S/c23-13-7-11(16-3-4-17(33-16)22(25,26)27)8-14(24)18(13)19-20(31)29-21(32)30(19)12-2-1-10-5-6-28-15(10)9-12/h1-4,6-9,19H,5H2,(H,29,31,32)
• InChIKey: YBFUPHSFJLJYLK-UHFFFAOYSA-N
• XLogP: 5.77
• TPSA: 61.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.41
LogP ≤ 5	5.77
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-[2,6-difluoro-4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione?

The IUPAC name of 5-[2,6-difluoro-4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione (CID 160668686) is 5-[2,6-difluoro-4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione.

What is the SMILES notation for 5-[2,6-difluoro-4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione?

The canonical SMILES for 5-[2,6-difluoro-4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione is O=C1NC(=O)N(c2ccc3c(c2)N=CC3)C1c1c(F)cc(-c2ccc(C(F)(F)F)s2)cc1F.

What is the InChIKey of 5-[2,6-difluoro-4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione?

The InChIKey is YBFUPHSFJLJYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12F5N3O2S/c23-13-7-11(16-3-4-17(33-16)22(25,26)27)8-14(24)18(13)19-20(31)29-21(32)30(19)12-2-1-10-5-6-28-15(10)9-12/h1-4,6-9,19H,5H2,(H,29,31,32).

What are the key properties of 5-[2,6-difluoro-4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione?

5-[2,6-difluoro-4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione has a molecular weight of 477.41 g/mol, XLogP of 5.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2,6-difluoro-4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]-1-(3H-indol-6-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 160668686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).