5-(4-chlorophenyl)-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-methylimidazolidine-2,4-dione

C26H27ClF6N2O4 — CID 24991436

About 5-(4-chlorophenyl)-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-methylimidazolidine-2,4-dione

5-(4-chlorophenyl)-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-methylimidazolidine-2,4-dione (PubChem CID 24991436) has the molecular formula C26H27ClF6N2O4 and a molecular weight of 580.95 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-(4-chlorophenyl)-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-methylimidazolidine-2,4-dione
• PubChem CID: 24991436
• Molecular Formula: C26H27ClF6N2O4
• Molecular Weight: 580.95 g/mol
• Exact Mass: 580.16
• IUPAC Name: 5-(4-chlorophenyl)-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-methylimidazolidine-2,4-dione
• SMILES: CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCCCCN1C(=O)NC(C)(c2ccc(Cl)cc2)C1=O
• InChI: InChI=1S/C26H27ClF6N2O4/c1-3-6-16-15-18(24(38,25(28,29)30)26(31,32)33)9-12-20(16)39-14-5-4-13-35-21(36)23(2,34-22(35)37)17-7-10-19(27)11-8-17/h7-12,15,38H,3-6,13-14H2,1-2H3,(H,34,37)
• InChIKey: IVZHAMUPJCMLIY-UHFFFAOYSA-N
• XLogP: 6.23
• TPSA: 78.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	580.95
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

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-(4-chlorophenyl)-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-methylimidazolidine-2,4-dione?

The IUPAC name of 5-(4-chlorophenyl)-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-methylimidazolidine-2,4-dione (CID 24991436) is 5-(4-chlorophenyl)-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-methylimidazolidine-2,4-dione.

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

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

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

The InChIKey is IVZHAMUPJCMLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClF6N2O4/c1-3-6-16-15-18(24(38,25(28,29)30)26(31,32)33)9-12-20(16)39-14-5-4-13-35-21(36)23(2,34-22(35)37)17-7-10-19(27)11-8-17/h7-12,15,38H,3-6,13-14H2,1-2H3,(H,34,37).

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

5-(4-chlorophenyl)-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 580.95 g/mol, XLogP of 6.23, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chlorophenyl)-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 24991436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).