5-(2,3-dihydro-1-benzofuran-5-yl)-3-[2-[4-[[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propyl-3-pyridinyl]oxy]phenyl]ethyl]-5-methylimidazolidine-2,4-dione

C31H29F6N3O5 — CID 59200907

About 5-(2,3-dihydro-1-benzofuran-5-yl)-3-[2-[4-[[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propyl-3-pyridinyl]oxy]phenyl]ethyl]-5-methylimidazolidine-2,4-dione

5-(2,3-dihydro-1-benzofuran-5-yl)-3-[2-[4-[[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propyl-3-pyridinyl]oxy]phenyl]ethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 59200907) has the molecular formula C31H29F6N3O5 and a molecular weight of 637.58 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-5-yl)-3-[2-[4-[[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propyl-3-pyridinyl]oxy]phenyl]ethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-(2,3-dihydro-1-benzofuran-5-yl)-3-[2-[4-[[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propyl-3-pyridinyl]oxy]phenyl]ethyl]-5-methylimidazolidine-2,4-dione
• PubChem CID: 59200907
• Molecular Formula: C31H29F6N3O5
• Molecular Weight: 637.58 g/mol
• Exact Mass: 637.20
• IUPAC Name: 5-(2,3-dihydro-1-benzofuran-5-yl)-3-[2-[4-[[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propyl-3-pyridinyl]oxy]phenyl]ethyl]-5-methylimidazolidine-2,4-dione
• SMILES: CCCc1nc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccc(CCN2C(=O)NC(C)(c3ccc4c(c3)CCO4)C2=O)cc1
• InChI: InChI=1S/C31H29F6N3O5/c1-3-4-22-24(11-12-25(38-22)29(43,30(32,33)34)31(35,36)37)45-21-8-5-18(6-9-21)13-15-40-26(41)28(2,39-27(40)42)20-7-10-23-19(17-20)14-16-44-23/h5-12,17,43H,3-4,13-16H2,1-2H3,(H,39,42)
• InChIKey: LUMXRKDBFFRAGG-UHFFFAOYSA-N
• XLogP: 6.08
• TPSA: 100.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	637.58
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-yl)-3-[2-[4-[[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propyl-3-pyridinyl]oxy]phenyl]ethyl]-5-methylimidazolidine-2,4-dione?

The IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-yl)-3-[2-[4-[[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propyl-3-pyridinyl]oxy]phenyl]ethyl]-5-methylimidazolidine-2,4-dione (CID 59200907) is 5-(2,3-dihydro-1-benzofuran-5-yl)-3-[2-[4-[[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propyl-3-pyridinyl]oxy]phenyl]ethyl]-5-methylimidazolidine-2,4-dione.

What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-5-yl)-3-[2-[4-[[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propyl-3-pyridinyl]oxy]phenyl]ethyl]-5-methylimidazolidine-2,4-dione?

The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-5-yl)-3-[2-[4-[[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propyl-3-pyridinyl]oxy]phenyl]ethyl]-5-methylimidazolidine-2,4-dione is CCCc1nc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccc(CCN2C(=O)NC(C)(c3ccc4c(c3)CCO4)C2=O)cc1.

What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-5-yl)-3-[2-[4-[[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propyl-3-pyridinyl]oxy]phenyl]ethyl]-5-methylimidazolidine-2,4-dione?

The InChIKey is LUMXRKDBFFRAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29F6N3O5/c1-3-4-22-24(11-12-25(38-22)29(43,30(32,33)34)31(35,36)37)45-21-8-5-18(6-9-21)13-15-40-26(41)28(2,39-27(40)42)20-7-10-23-19(17-20)14-16-44-23/h5-12,17,43H,3-4,13-16H2,1-2H3,(H,39,42).

What are the key properties of 5-(2,3-dihydro-1-benzofuran-5-yl)-3-[2-[4-[[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propyl-3-pyridinyl]oxy]phenyl]ethyl]-5-methylimidazolidine-2,4-dione?

5-(2,3-dihydro-1-benzofuran-5-yl)-3-[2-[4-[[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propyl-3-pyridinyl]oxy]phenyl]ethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 637.58 g/mol, XLogP of 6.08, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,3-dihydro-1-benzofuran-5-yl)-3-[2-[4-[[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propyl-3-pyridinyl]oxy]phenyl]ethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 59200907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).