3-[[2-chloro-5-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]phenyl]methyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione

C34H35ClF6N2O6 — CID 86639413

About 3-[[2-chloro-5-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]phenyl]methyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione

3-[[2-chloro-5-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]phenyl]methyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione (PubChem CID 86639413) has the molecular formula C34H35ClF6N2O6 and a molecular weight of 717.10 g/mol. Its IUPAC name is 3-[[2-chloro-5-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]phenyl]methyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 3-[[2-chloro-5-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]phenyl]methyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione
• PubChem CID: 86639413
• Molecular Formula: C34H35ClF6N2O6
• Molecular Weight: 717.10 g/mol
• Exact Mass: 716.21
• IUPAC Name: 3-[[2-chloro-5-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]phenyl]methyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione
• SMILES: CCCc1cc(C(OCOC)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccc(Cl)c(CN2C(=O)NC(C)(c3ccc(OC(C)C)cc3)C2=O)c1
• InChI: InChI=1S/C34H35ClF6N2O6/c1-6-7-21-16-24(32(33(36,37)38,34(39,40)41)47-19-46-5)10-15-28(21)49-26-13-14-27(35)22(17-26)18-43-29(44)31(4,42-30(43)45)23-8-11-25(12-9-23)48-20(2)3/h8-17,20H,6-7,18-19H2,1-5H3,(H,42,45)
• InChIKey: NYQWILZUVKLSJK-UHFFFAOYSA-N
• XLogP: 8.78
• TPSA: 86.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	717.10
LogP ≤ 5	8.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[[2-chloro-5-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]phenyl]methyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione?

The IUPAC name of 3-[[2-chloro-5-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]phenyl]methyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione (CID 86639413) is 3-[[2-chloro-5-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]phenyl]methyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione.

What is the SMILES notation for 3-[[2-chloro-5-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]phenyl]methyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione?

The canonical SMILES for 3-[[2-chloro-5-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]phenyl]methyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione is CCCc1cc(C(OCOC)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccc(Cl)c(CN2C(=O)NC(C)(c3ccc(OC(C)C)cc3)C2=O)c1.

What is the InChIKey of 3-[[2-chloro-5-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]phenyl]methyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione?

The InChIKey is NYQWILZUVKLSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35ClF6N2O6/c1-6-7-21-16-24(32(33(36,37)38,34(39,40)41)47-19-46-5)10-15-28(21)49-26-13-14-27(35)22(17-26)18-43-29(44)31(4,42-30(43)45)23-8-11-25(12-9-23)48-20(2)3/h8-17,20H,6-7,18-19H2,1-5H3,(H,42,45).

What are the key properties of 3-[[2-chloro-5-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]phenyl]methyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione?

3-[[2-chloro-5-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]phenyl]methyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione has a molecular weight of 717.10 g/mol, XLogP of 8.78, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-chloro-5-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]phenyl]methyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 86639413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).