1-[[2-[[4-[(5-ethoxy-2-pyridinyl)amino]phenyl]methyl]-4-fluorophenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione

C33H29F5N4O3 — CID 58154380

About 1-[[2-[[4-[(5-ethoxy-2-pyridinyl)amino]phenyl]methyl]-4-fluorophenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione

1-[[2-[[4-[(5-ethoxy-2-pyridinyl)amino]phenyl]methyl]-4-fluorophenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 58154380) has the molecular formula C33H29F5N4O3 and a molecular weight of 624.61 g/mol. Its IUPAC name is 1-[[2-[[4-[(5-ethoxy-2-pyridinyl)amino]phenyl]methyl]-4-fluorophenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[[2-[[4-[(5-ethoxy-2-pyridinyl)amino]phenyl]methyl]-4-fluorophenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione
• PubChem CID: 58154380
• Molecular Formula: C33H29F5N4O3
• Molecular Weight: 624.61 g/mol
• Exact Mass: 624.22
• IUPAC Name: 1-[[2-[[4-[(5-ethoxy-2-pyridinyl)amino]phenyl]methyl]-4-fluorophenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione
• SMILES: CCOc1ccc(Nc2ccc(Cc3cc(F)ccc3CN3C(=O)N(c4ccc(F)c(C(F)(F)F)c4)C(=O)C3(C)C)cc2)nc1
• InChI: InChI=1S/C33H29F5N4O3/c1-4-45-26-12-14-29(39-18-26)40-24-9-5-20(6-10-24)15-22-16-23(34)8-7-21(22)19-41-31(44)42(30(43)32(41,2)3)25-11-13-28(35)27(17-25)33(36,37)38/h5-14,16-18H,4,15,19H2,1-3H3,(H,39,40)
• InChIKey: HLMVISHJHOALOR-UHFFFAOYSA-N
• XLogP: 7.86
• TPSA: 74.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	624.61
LogP ≤ 5	7.86
H-Bond Donors ≤ 5	1
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 1-[[2-[[4-[(5-ethoxy-2-pyridinyl)amino]phenyl]methyl]-4-fluorophenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione?

The IUPAC name of 1-[[2-[[4-[(5-ethoxy-2-pyridinyl)amino]phenyl]methyl]-4-fluorophenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione (CID 58154380) is 1-[[2-[[4-[(5-ethoxy-2-pyridinyl)amino]phenyl]methyl]-4-fluorophenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione.

What is the SMILES notation for 1-[[2-[[4-[(5-ethoxy-2-pyridinyl)amino]phenyl]methyl]-4-fluorophenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione?

The canonical SMILES for 1-[[2-[[4-[(5-ethoxy-2-pyridinyl)amino]phenyl]methyl]-4-fluorophenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione is CCOc1ccc(Nc2ccc(Cc3cc(F)ccc3CN3C(=O)N(c4ccc(F)c(C(F)(F)F)c4)C(=O)C3(C)C)cc2)nc1.

What is the InChIKey of 1-[[2-[[4-[(5-ethoxy-2-pyridinyl)amino]phenyl]methyl]-4-fluorophenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione?

The InChIKey is HLMVISHJHOALOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29F5N4O3/c1-4-45-26-12-14-29(39-18-26)40-24-9-5-20(6-10-24)15-22-16-23(34)8-7-21(22)19-41-31(44)42(30(43)32(41,2)3)25-11-13-28(35)27(17-25)33(36,37)38/h5-14,16-18H,4,15,19H2,1-3H3,(H,39,40).

What are the key properties of 1-[[2-[[4-[(5-ethoxy-2-pyridinyl)amino]phenyl]methyl]-4-fluorophenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione?

1-[[2-[[4-[(5-ethoxy-2-pyridinyl)amino]phenyl]methyl]-4-fluorophenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 624.61 g/mol, XLogP of 7.86, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[2-[[4-[(5-ethoxy-2-pyridinyl)amino]phenyl]methyl]-4-fluorophenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 58154380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).