3-[1-[3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]phenyl]ethyl]-5-(6-methoxy-3-pyridinyl)-5-methylimidazolidine-2,4-dione

C30H29F6N3O5 — CID 59200989

About 3-[1-[3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]phenyl]ethyl]-5-(6-methoxy-3-pyridinyl)-5-methylimidazolidine-2,4-dione

3-[1-[3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]phenyl]ethyl]-5-(6-methoxy-3-pyridinyl)-5-methylimidazolidine-2,4-dione (PubChem CID 59200989) has the molecular formula C30H29F6N3O5 and a molecular weight of 625.57 g/mol. Its IUPAC name is 3-[1-[3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]phenyl]ethyl]-5-(6-methoxy-3-pyridinyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 3-[1-[3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]phenyl]ethyl]-5-(6-methoxy-3-pyridinyl)-5-methylimidazolidine-2,4-dione
• PubChem CID: 59200989
• Molecular Formula: C30H29F6N3O5
• Molecular Weight: 625.57 g/mol
• Exact Mass: 625.20
• IUPAC Name: 3-[1-[3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]phenyl]ethyl]-5-(6-methoxy-3-pyridinyl)-5-methylimidazolidine-2,4-dione
• SMILES: CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1cccc(C(C)N2C(=O)NC(C)(c3ccc(OC)nc3)C2=O)c1
• InChI: InChI=1S/C30H29F6N3O5/c1-5-7-19-14-20(28(42,29(31,32)33)30(34,35)36)10-12-23(19)44-22-9-6-8-18(15-22)17(2)39-25(40)27(3,38-26(39)41)21-11-13-24(43-4)37-16-21/h6,8-17,42H,5,7H2,1-4H3,(H,38,41)
• InChIKey: LPVWYWGIYNUHMP-UHFFFAOYSA-N
• XLogP: 6.68
• TPSA: 100.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	625.57
LogP ≤ 5	6.68
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 3-[1-[3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]phenyl]ethyl]-5-(6-methoxy-3-pyridinyl)-5-methylimidazolidine-2,4-dione?

The IUPAC name of 3-[1-[3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]phenyl]ethyl]-5-(6-methoxy-3-pyridinyl)-5-methylimidazolidine-2,4-dione (CID 59200989) is 3-[1-[3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]phenyl]ethyl]-5-(6-methoxy-3-pyridinyl)-5-methylimidazolidine-2,4-dione.

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

The canonical SMILES for 3-[1-[3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]phenyl]ethyl]-5-(6-methoxy-3-pyridinyl)-5-methylimidazolidine-2,4-dione is CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1cccc(C(C)N2C(=O)NC(C)(c3ccc(OC)nc3)C2=O)c1.

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

The InChIKey is LPVWYWGIYNUHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F6N3O5/c1-5-7-19-14-20(28(42,29(31,32)33)30(34,35)36)10-12-23(19)44-22-9-6-8-18(15-22)17(2)39-25(40)27(3,38-26(39)41)21-11-13-24(43-4)37-16-21/h6,8-17,42H,5,7H2,1-4H3,(H,38,41).

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

3-[1-[3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]phenyl]ethyl]-5-(6-methoxy-3-pyridinyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 625.57 g/mol, XLogP of 6.68, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]phenyl]ethyl]-5-(6-methoxy-3-pyridinyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 59200989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).