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

C25H27F6N3O4 — CID 59201051

IUPAC3-[2-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]ethyl]-1,5,5-trimethylimidazolidine-2,4-dione
SMILESCCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccc(CCN2C(=O)N(C)C(C)(C)C2=O)nc1
InChIInChI=1S/C25H27F6N3O4/c1-5-6-15-13-16(23(37,24(26,27)28)25(29,30)31)7-10-19(15)38-18-9-8-17(32-14-18)11-12-34-20(35)22(2,3)33(4)21(34)36/h7-10,13-14,37H,5-6,11-12H2,1-4H3
InChIKeyDORSSWUWOIDQIV-UHFFFAOYSA-N
MW547.50 g/mol
LogP5.35
Rot. Bonds8

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

3-[2-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]ethyl]-1,5,5-trimethylimidazolidine-2,4-dione (PubChem CID 59201051) has the molecular formula C25H27F6N3O4 and a molecular weight of 547.50 g/mol. Its IUPAC name is 3-[2-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]ethyl]-1,5,5-trimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]ethyl]-1,5,5-trimethylimidazolidine-2,4-dione
PubChem CID59201051
Molecular FormulaC25H27F6N3O4
Molecular Weight547.50 g/mol
Exact Mass547.19
IUPAC Name3-[2-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]ethyl]-1,5,5-trimethylimidazolidine-2,4-dione
SMILESCCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccc(CCN2C(=O)N(C)C(C)(C)C2=O)nc1
InChIInChI=1S/C25H27F6N3O4/c1-5-6-15-13-16(23(37,24(26,27)28)25(29,30)31)7-10-19(15)38-18-9-8-17(32-14-18)11-12-34-20(35)22(2,3)33(4)21(34)36/h7-10,13-14,37H,5-6,11-12H2,1-4H3
InChIKeyDORSSWUWOIDQIV-UHFFFAOYSA-N
XLogP5.35
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.50
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[2-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]ethyl]-1,5,5-trimethylimidazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]ethyl]-1,5,5-trimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]ethyl]-1,5,5-trimethylimidazolidine-2,4-dione (CID 59201051) is 3-[2-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]ethyl]-1,5,5-trimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]ethyl]-1,5,5-trimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]ethyl]-1,5,5-trimethylimidazolidine-2,4-dione is CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccc(CCN2C(=O)N(C)C(C)(C)C2=O)nc1.
What is the InChIKey of 3-[2-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]ethyl]-1,5,5-trimethylimidazolidine-2,4-dione?
The InChIKey is DORSSWUWOIDQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F6N3O4/c1-5-6-15-13-16(23(37,24(26,27)28)25(29,30)31)7-10-19(15)38-18-9-8-17(32-14-18)11-12-34-20(35)22(2,3)33(4)21(34)36/h7-10,13-14,37H,5-6,11-12H2,1-4H3.
What are the key properties of 3-[2-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]ethyl]-1,5,5-trimethylimidazolidine-2,4-dione?
3-[2-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]ethyl]-1,5,5-trimethylimidazolidine-2,4-dione has a molecular weight of 547.50 g/mol, XLogP of 5.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]ethyl]-1,5,5-trimethylimidazolidine-2,4-dione is sourced from PubChem (CID 59201051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).