ethyl 2-[2,6-dimethyl-4-[[3-[3-methyl-4-(trifluoromethyl)phenyl]-2,5-dioxoimidazolidin-1-yl]methyl]phenoxy]-2-methylpropanoate

C26H29F3N2O5 — CID 170067260

About ethyl 2-[2,6-dimethyl-4-[[3-[3-methyl-4-(trifluoromethyl)phenyl]-2,5-dioxoimidazolidin-1-yl]methyl]phenoxy]-2-methylpropanoate

ethyl 2-[2,6-dimethyl-4-[[3-[3-methyl-4-(trifluoromethyl)phenyl]-2,5-dioxoimidazolidin-1-yl]methyl]phenoxy]-2-methylpropanoate (PubChem CID 170067260) has the molecular formula C26H29F3N2O5 and a molecular weight of 506.52 g/mol. Its IUPAC name is ethyl 2-[2,6-dimethyl-4-[[3-[3-methyl-4-(trifluoromethyl)phenyl]-2,5-dioxoimidazolidin-1-yl]methyl]phenoxy]-2-methylpropanoate.

Molecular Properties

• Compound Name: ethyl 2-[2,6-dimethyl-4-[[3-[3-methyl-4-(trifluoromethyl)phenyl]-2,5-dioxoimidazolidin-1-yl]methyl]phenoxy]-2-methylpropanoate
• PubChem CID: 170067260
• Molecular Formula: C26H29F3N2O5
• Molecular Weight: 506.52 g/mol
• Exact Mass: 506.20
• IUPAC Name: ethyl 2-[2,6-dimethyl-4-[[3-[3-methyl-4-(trifluoromethyl)phenyl]-2,5-dioxoimidazolidin-1-yl]methyl]phenoxy]-2-methylpropanoate
• SMILES: CCOC(=O)C(C)(C)Oc1c(C)cc(CN2C(=O)CN(c3ccc(C(F)(F)F)c(C)c3)C2=O)cc1C
• InChI: InChI=1S/C26H29F3N2O5/c1-7-35-23(33)25(5,6)36-22-16(3)10-18(11-17(22)4)13-31-21(32)14-30(24(31)34)19-8-9-20(15(2)12-19)26(27,28)29/h8-12H,7,13-14H2,1-6H3
• InChIKey: MFNIAZRUEPXBMZ-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 76.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.52
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2,6-dimethyl-4-[[3-[3-methyl-4-(trifluoromethyl)phenyl]-2,5-dioxoimidazolidin-1-yl]methyl]phenoxy]-2-methylpropanoate?

The IUPAC name of ethyl 2-[2,6-dimethyl-4-[[3-[3-methyl-4-(trifluoromethyl)phenyl]-2,5-dioxoimidazolidin-1-yl]methyl]phenoxy]-2-methylpropanoate (CID 170067260) is ethyl 2-[2,6-dimethyl-4-[[3-[3-methyl-4-(trifluoromethyl)phenyl]-2,5-dioxoimidazolidin-1-yl]methyl]phenoxy]-2-methylpropanoate.

What is the SMILES notation for ethyl 2-[2,6-dimethyl-4-[[3-[3-methyl-4-(trifluoromethyl)phenyl]-2,5-dioxoimidazolidin-1-yl]methyl]phenoxy]-2-methylpropanoate?

The canonical SMILES for ethyl 2-[2,6-dimethyl-4-[[3-[3-methyl-4-(trifluoromethyl)phenyl]-2,5-dioxoimidazolidin-1-yl]methyl]phenoxy]-2-methylpropanoate is CCOC(=O)C(C)(C)Oc1c(C)cc(CN2C(=O)CN(c3ccc(C(F)(F)F)c(C)c3)C2=O)cc1C.

What is the InChIKey of ethyl 2-[2,6-dimethyl-4-[[3-[3-methyl-4-(trifluoromethyl)phenyl]-2,5-dioxoimidazolidin-1-yl]methyl]phenoxy]-2-methylpropanoate?

The InChIKey is MFNIAZRUEPXBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F3N2O5/c1-7-35-23(33)25(5,6)36-22-16(3)10-18(11-17(22)4)13-31-21(32)14-30(24(31)34)19-8-9-20(15(2)12-19)26(27,28)29/h8-12H,7,13-14H2,1-6H3.

What are the key properties of ethyl 2-[2,6-dimethyl-4-[[3-[3-methyl-4-(trifluoromethyl)phenyl]-2,5-dioxoimidazolidin-1-yl]methyl]phenoxy]-2-methylpropanoate?

ethyl 2-[2,6-dimethyl-4-[[3-[3-methyl-4-(trifluoromethyl)phenyl]-2,5-dioxoimidazolidin-1-yl]methyl]phenoxy]-2-methylpropanoate has a molecular weight of 506.52 g/mol, XLogP of 5.32, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[2,6-dimethyl-4-[[3-[3-methyl-4-(trifluoromethyl)phenyl]-2,5-dioxoimidazolidin-1-yl]methyl]phenoxy]-2-methylpropanoate is sourced from PubChem (CID 170067260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).