methyl 2-[[5-fluoro-2-[[3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]phenyl]carbamoylamino]-2-methylpropanoate

C25H25F5N4O5 — CID 58360661

About methyl 2-[[5-fluoro-2-[[3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]phenyl]carbamoylamino]-2-methylpropanoate

methyl 2-[[5-fluoro-2-[[3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]phenyl]carbamoylamino]-2-methylpropanoate (PubChem CID 58360661) has the molecular formula C25H25F5N4O5 and a molecular weight of 556.49 g/mol. Its IUPAC name is methyl 2-[[5-fluoro-2-[[3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]phenyl]carbamoylamino]-2-methylpropanoate.

Molecular Properties

• Compound Name: methyl 2-[[5-fluoro-2-[[3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]phenyl]carbamoylamino]-2-methylpropanoate
• PubChem CID: 58360661
• Molecular Formula: C25H25F5N4O5
• Molecular Weight: 556.49 g/mol
• Exact Mass: 556.17
• IUPAC Name: methyl 2-[[5-fluoro-2-[[3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]phenyl]carbamoylamino]-2-methylpropanoate
• SMILES: COC(=O)C(C)(C)NC(=O)Nc1cc(F)ccc1CN1C(=O)N(c2ccc(F)c(C(F)(F)F)c2)C(=O)C1(C)C
• InChI: InChI=1S/C25H25F5N4O5/c1-23(2,20(36)39-5)32-21(37)31-18-10-14(26)7-6-13(18)12-33-22(38)34(19(35)24(33,3)4)15-8-9-17(27)16(11-15)25(28,29)30/h6-11H,12H2,1-5H3,(H2,31,32,37)
• InChIKey: TVNHHYYRSCYOSZ-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 108.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	556.49
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	2
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 methyl 2-[[5-fluoro-2-[[3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]phenyl]carbamoylamino]-2-methylpropanoate?

The IUPAC name of methyl 2-[[5-fluoro-2-[[3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]phenyl]carbamoylamino]-2-methylpropanoate (CID 58360661) is methyl 2-[[5-fluoro-2-[[3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]phenyl]carbamoylamino]-2-methylpropanoate.

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

The canonical SMILES for methyl 2-[[5-fluoro-2-[[3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]phenyl]carbamoylamino]-2-methylpropanoate is COC(=O)C(C)(C)NC(=O)Nc1cc(F)ccc1CN1C(=O)N(c2ccc(F)c(C(F)(F)F)c2)C(=O)C1(C)C.

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

The InChIKey is TVNHHYYRSCYOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F5N4O5/c1-23(2,20(36)39-5)32-21(37)31-18-10-14(26)7-6-13(18)12-33-22(38)34(19(35)24(33,3)4)15-8-9-17(27)16(11-15)25(28,29)30/h6-11H,12H2,1-5H3,(H2,31,32,37).

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

methyl 2-[[5-fluoro-2-[[3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]phenyl]carbamoylamino]-2-methylpropanoate has a molecular weight of 556.49 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[[5-fluoro-2-[[3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]methyl]phenyl]carbamoylamino]-2-methylpropanoate is sourced from PubChem (CID 58360661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).