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

C68H60F12N8O10 — CID 158120832

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

3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-(6-phenylmethoxy-3-pyridinyl)imidazolidine-2,4-dione (PubChem CID 158120832) has the molecular formula C68H60F12N8O10 and a molecular weight of 1377.25 g/mol. Its IUPAC name is 3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-(6-phenylmethoxy-3-pyridinyl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-(6-phenylmethoxy-3-pyridinyl)imidazolidine-2,4-dione
• PubChem CID: 158120832
• Molecular Formula: C68H60F12N8O10
• Molecular Weight: 1377.25 g/mol
• Exact Mass: 1376.42
• IUPAC Name: 3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-(6-phenylmethoxy-3-pyridinyl)imidazolidine-2,4-dione
• SMILES: CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccnc(CN2C(=O)NC(C)(c3ccc(OCc4ccccc4)nc3)C2=O)c1.CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccnc(CN2C(=O)NC(C)(c3ccc(OCc4ccccc4)nc3)C2=O)c1
• InChI: InChI=1S/2C34H30F6N4O5/c2*1-3-7-22-16-23(32(47,33(35,36)37)34(38,39)40)10-12-27(22)49-26-14-15-41-25(17-26)19-44-29(45)31(2,43-30(44)46)24-11-13-28(42-18-24)48-20-21-8-5-4-6-9-21/h2*4-6,8-18,47H,3,7,19-20H2,1-2H3,(H,43,46)
• InChIKey: FROWCPGTYVPEBU-UHFFFAOYSA-N
• XLogP: 14.16
• TPSA: 227.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 22
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1377.25
LogP ≤ 5	14.16
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-(6-phenylmethoxy-3-pyridinyl)imidazolidine-2,4-dione (CID 158120832) is 3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-(6-phenylmethoxy-3-pyridinyl)imidazolidine-2,4-dione.

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

The canonical SMILES for 3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-(6-phenylmethoxy-3-pyridinyl)imidazolidine-2,4-dione is CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccnc(CN2C(=O)NC(C)(c3ccc(OCc4ccccc4)nc3)C2=O)c1.CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccnc(CN2C(=O)NC(C)(c3ccc(OCc4ccccc4)nc3)C2=O)c1.

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

The InChIKey is FROWCPGTYVPEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C34H30F6N4O5/c2*1-3-7-22-16-23(32(47,33(35,36)37)34(38,39)40)10-12-27(22)49-26-14-15-41-25(17-26)19-44-29(45)31(2,43-30(44)46)24-11-13-28(42-18-24)48-20-21-8-5-4-6-9-21/h2*4-6,8-18,47H,3,7,19-20H2,1-2H3,(H,43,46).

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

3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-(6-phenylmethoxy-3-pyridinyl)imidazolidine-2,4-dione has a molecular weight of 1377.25 g/mol, XLogP of 14.16, 22 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-(6-phenylmethoxy-3-pyridinyl)imidazolidine-2,4-dione is sourced from PubChem (CID 158120832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).