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

C29H28F6N4O5 — CID 143901077

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

3-[[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-5-methyl-4-pyridinyl]methyl]-5-(6-methoxy-3-pyridinyl)-5-methylimidazolidine-2,4-dione (PubChem CID 143901077) has the molecular formula C29H28F6N4O5 and a molecular weight of 626.55 g/mol. Its IUPAC name is 3-[[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-5-methyl-4-pyridinyl]methyl]-5-(6-methoxy-3-pyridinyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 3-[[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-5-methyl-4-pyridinyl]methyl]-5-(6-methoxy-3-pyridinyl)-5-methylimidazolidine-2,4-dione
• PubChem CID: 143901077
• Molecular Formula: C29H28F6N4O5
• Molecular Weight: 626.55 g/mol
• Exact Mass: 626.20
• IUPAC Name: 3-[[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-5-methyl-4-pyridinyl]methyl]-5-(6-methoxy-3-pyridinyl)-5-methylimidazolidine-2,4-dione
• SMILES: CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1cc(CN2C(=O)NC(C)(c3ccc(OC)nc3)C2=O)c(C)cn1
• InChI: InChI=1S/C29H28F6N4O5/c1-5-6-17-11-19(27(42,28(30,31)32)29(33,34)35)7-9-21(17)44-23-12-18(16(2)13-36-23)15-39-24(40)26(3,38-25(39)41)20-8-10-22(43-4)37-14-20/h7-14,42H,5-6,15H2,1-4H3,(H,38,41)
• InChIKey: PUXPOPAFHDXMMQ-UHFFFAOYSA-N
• XLogP: 5.82
• TPSA: 113.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	626.55
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-[[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-5-methyl-4-pyridinyl]methyl]-5-(6-methoxy-3-pyridinyl)-5-methylimidazolidine-2,4-dione (CID 143901077) is 3-[[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-5-methyl-4-pyridinyl]methyl]-5-(6-methoxy-3-pyridinyl)-5-methylimidazolidine-2,4-dione.

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

The canonical SMILES for 3-[[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-5-methyl-4-pyridinyl]methyl]-5-(6-methoxy-3-pyridinyl)-5-methylimidazolidine-2,4-dione is CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1cc(CN2C(=O)NC(C)(c3ccc(OC)nc3)C2=O)c(C)cn1.

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

The InChIKey is PUXPOPAFHDXMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F6N4O5/c1-5-6-17-11-19(27(42,28(30,31)32)29(33,34)35)7-9-21(17)44-23-12-18(16(2)13-36-23)15-39-24(40)26(3,38-25(39)41)20-8-10-22(43-4)37-14-20/h7-14,42H,5-6,15H2,1-4H3,(H,38,41).

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

3-[[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-5-methyl-4-pyridinyl]methyl]-5-(6-methoxy-3-pyridinyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 626.55 g/mol, XLogP of 5.82, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-5-methyl-4-pyridinyl]methyl]-5-(6-methoxy-3-pyridinyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 143901077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).