3-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-methylphenyl]ethyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione

C34H36F6N2O5 — CID 59200977

IUPAC3-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-methylphenyl]ethyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione
SMILESCCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccc(CCN2C(=O)NC(C)(c3ccc(OC(C)C)cc3)C2=O)c(C)c1
InChIInChI=1S/C34H36F6N2O5/c1-6-7-23-19-25(32(45,33(35,36)37)34(38,39)40)11-15-28(23)47-27-12-8-22(21(4)18-27)16-17-42-29(43)31(5,41-30(42)44)24-9-13-26(14-10-24)46-20(2)3/h8-15,18-20,45H,6-7,16-17H2,1-5H3,(H,41,44)
InChIKeyJDMOAMFFFMHAGP-UHFFFAOYSA-N
MW666.66 g/mol
LogP7.85
Rot. Bonds11

About 3-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-methylphenyl]ethyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione

3-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-methylphenyl]ethyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione (PubChem CID 59200977) has the molecular formula C34H36F6N2O5 and a molecular weight of 666.66 g/mol. Its IUPAC name is 3-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-methylphenyl]ethyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-methylphenyl]ethyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione
PubChem CID59200977
Molecular FormulaC34H36F6N2O5
Molecular Weight666.66 g/mol
Exact Mass666.25
IUPAC Name3-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-methylphenyl]ethyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione
SMILESCCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccc(CCN2C(=O)NC(C)(c3ccc(OC(C)C)cc3)C2=O)c(C)c1
InChIInChI=1S/C34H36F6N2O5/c1-6-7-23-19-25(32(45,33(35,36)37)34(38,39)40)11-15-28(23)47-27-12-8-22(21(4)18-27)16-17-42-29(43)31(5,41-30(42)44)24-9-13-26(14-10-24)46-20(2)3/h8-15,18-20,45H,6-7,16-17H2,1-5H3,(H,41,44)
InChIKeyJDMOAMFFFMHAGP-UHFFFAOYSA-N
XLogP7.85
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.66
LogP ≤ 57.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-methylphenyl]ethyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-methylphenyl]ethyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione (CID 59200977) is 3-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-methylphenyl]ethyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-methylphenyl]ethyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-methylphenyl]ethyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione is CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccc(CCN2C(=O)NC(C)(c3ccc(OC(C)C)cc3)C2=O)c(C)c1.
What is the InChIKey of 3-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-methylphenyl]ethyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione?
The InChIKey is JDMOAMFFFMHAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36F6N2O5/c1-6-7-23-19-25(32(45,33(35,36)37)34(38,39)40)11-15-28(23)47-27-12-8-22(21(4)18-27)16-17-42-29(43)31(5,41-30(42)44)24-9-13-26(14-10-24)46-20(2)3/h8-15,18-20,45H,6-7,16-17H2,1-5H3,(H,41,44).
What are the key properties of 3-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-methylphenyl]ethyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione?
3-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-methylphenyl]ethyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione has a molecular weight of 666.66 g/mol, XLogP of 7.85, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-methylphenyl]ethyl]-5-methyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 59200977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).