3-[[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-5-iodo-4-pyridinyl]methyl]-1,5,5-trimethylimidazolidine-2,4-dione

C24H24F6IN3O4 — CID 59200892

IUPAC3-[[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-5-iodo-4-pyridinyl]methyl]-1,5,5-trimethylimidazolidine-2,4-dione
SMILESCCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1cc(CN2C(=O)N(C)C(C)(C)C2=O)c(I)cn1
InChIInChI=1S/C24H24F6IN3O4/c1-5-6-13-9-15(22(37,23(25,26)27)24(28,29)30)7-8-17(13)38-18-10-14(16(31)11-32-18)12-34-19(35)21(2,3)33(4)20(34)36/h7-11,37H,5-6,12H2,1-4H3
InChIKeyUUHROCLIFWNDAD-UHFFFAOYSA-N
MW659.37 g/mol
LogP5.92
Rot. Bonds7

About 3-[[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-5-iodo-4-pyridinyl]methyl]-1,5,5-trimethylimidazolidine-2,4-dione

3-[[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-5-iodo-4-pyridinyl]methyl]-1,5,5-trimethylimidazolidine-2,4-dione (PubChem CID 59200892) has the molecular formula C24H24F6IN3O4 and a molecular weight of 659.37 g/mol. Its IUPAC name is 3-[[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-5-iodo-4-pyridinyl]methyl]-1,5,5-trimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-5-iodo-4-pyridinyl]methyl]-1,5,5-trimethylimidazolidine-2,4-dione
PubChem CID59200892
Molecular FormulaC24H24F6IN3O4
Molecular Weight659.37 g/mol
Exact Mass659.07
IUPAC Name3-[[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-5-iodo-4-pyridinyl]methyl]-1,5,5-trimethylimidazolidine-2,4-dione
SMILESCCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1cc(CN2C(=O)N(C)C(C)(C)C2=O)c(I)cn1
InChIInChI=1S/C24H24F6IN3O4/c1-5-6-13-9-15(22(37,23(25,26)27)24(28,29)30)7-8-17(13)38-18-10-14(16(31)11-32-18)12-34-19(35)21(2,3)33(4)20(34)36/h7-11,37H,5-6,12H2,1-4H3
InChIKeyUUHROCLIFWNDAD-UHFFFAOYSA-N
XLogP5.92
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.37
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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-iodo-4-pyridinyl]methyl]-1,5,5-trimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-5-iodo-4-pyridinyl]methyl]-1,5,5-trimethylimidazolidine-2,4-dione (CID 59200892) is 3-[[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-5-iodo-4-pyridinyl]methyl]-1,5,5-trimethylimidazolidine-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-iodo-4-pyridinyl]methyl]-1,5,5-trimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-5-iodo-4-pyridinyl]methyl]-1,5,5-trimethylimidazolidine-2,4-dione is CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1cc(CN2C(=O)N(C)C(C)(C)C2=O)c(I)cn1.
What is the InChIKey of 3-[[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-5-iodo-4-pyridinyl]methyl]-1,5,5-trimethylimidazolidine-2,4-dione?
The InChIKey is UUHROCLIFWNDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F6IN3O4/c1-5-6-13-9-15(22(37,23(25,26)27)24(28,29)30)7-8-17(13)38-18-10-14(16(31)11-32-18)12-34-19(35)21(2,3)33(4)20(34)36/h7-11,37H,5-6,12H2,1-4H3.
What are the key properties of 3-[[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-5-iodo-4-pyridinyl]methyl]-1,5,5-trimethylimidazolidine-2,4-dione?
3-[[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-5-iodo-4-pyridinyl]methyl]-1,5,5-trimethylimidazolidine-2,4-dione has a molecular weight of 659.37 g/mol, XLogP of 5.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 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-iodo-4-pyridinyl]methyl]-1,5,5-trimethylimidazolidine-2,4-dione is sourced from PubChem (CID 59200892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).