5-ethyl-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione

C28H32F6N2O5 — CID 59234955

About 5-ethyl-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione

5-ethyl-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione (PubChem CID 59234955) has the molecular formula C28H32F6N2O5 and a molecular weight of 590.56 g/mol. Its IUPAC name is 5-ethyl-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-ethyl-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione
• PubChem CID: 59234955
• Molecular Formula: C28H32F6N2O5
• Molecular Weight: 590.56 g/mol
• Exact Mass: 590.22
• IUPAC Name: 5-ethyl-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione
• SMILES: CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCCCCN1C(=O)NC(CC)(c2ccc(OC)cc2)C1=O
• InChI: InChI=1S/C28H32F6N2O5/c1-4-8-18-17-20(26(39,27(29,30)31)28(32,33)34)11-14-22(18)41-16-7-6-15-36-23(37)25(5-2,35-24(36)38)19-9-12-21(40-3)13-10-19/h9-14,17,39H,4-8,15-16H2,1-3H3,(H,35,38)
• InChIKey: ZUSRAIJOSOQEQJ-UHFFFAOYSA-N
• XLogP: 5.98
• TPSA: 88.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.56
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	2
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-ethyl-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione?

The IUPAC name of 5-ethyl-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione (CID 59234955) is 5-ethyl-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione.

What is the SMILES notation for 5-ethyl-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione?

The canonical SMILES for 5-ethyl-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione is CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCCCCN1C(=O)NC(CC)(c2ccc(OC)cc2)C1=O.

What is the InChIKey of 5-ethyl-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione?

The InChIKey is ZUSRAIJOSOQEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F6N2O5/c1-4-8-18-17-20(26(39,27(29,30)31)28(32,33)34)11-14-22(18)41-16-7-6-15-36-23(37)25(5-2,35-24(36)38)19-9-12-21(40-3)13-10-19/h9-14,17,39H,4-8,15-16H2,1-3H3,(H,35,38).

What are the key properties of 5-ethyl-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione?

5-ethyl-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione has a molecular weight of 590.56 g/mol, XLogP of 5.98, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethyl-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 59234955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).