3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione

C34H37F6N3O4 — CID 44538342

IUPAC3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
SMILESCCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(CCC)c1Oc1ccnc(CN2C(=O)NC(C)(c3ccc(C(C)C)cc3)C2=O)c1
InChIInChI=1S/C34H37F6N3O4/c1-6-8-22-16-25(32(46,33(35,36)37)34(38,39)40)17-23(9-7-2)28(22)47-27-14-15-41-26(18-27)19-43-29(44)31(5,42-30(43)45)24-12-10-21(11-13-24)20(3)4/h10-18,20,46H,6-9,19H2,1-5H3,(H,42,45)
InChIKeyOWVPJIOKDJHFTI-UHFFFAOYSA-N
MW665.68 g/mol
LogP8.18
Rot. Bonds11

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

3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione (PubChem CID 44538342) has the molecular formula C34H37F6N3O4 and a molecular weight of 665.68 g/mol. Its IUPAC name is 3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
PubChem CID44538342
Molecular FormulaC34H37F6N3O4
Molecular Weight665.68 g/mol
Exact Mass665.27
IUPAC Name3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
SMILESCCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(CCC)c1Oc1ccnc(CN2C(=O)NC(C)(c3ccc(C(C)C)cc3)C2=O)c1
InChIInChI=1S/C34H37F6N3O4/c1-6-8-22-16-25(32(46,33(35,36)37)34(38,39)40)17-23(9-7-2)28(22)47-27-14-15-41-26(18-27)19-43-29(44)31(5,42-30(43)45)24-12-10-21(11-13-24)20(3)4/h10-18,20,46H,6-9,19H2,1-5H3,(H,42,45)
InChIKeyOWVPJIOKDJHFTI-UHFFFAOYSA-N
XLogP8.18
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.68
LogP ≤ 58.18
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-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione (CID 44538342) is 3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione is CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(CCC)c1Oc1ccnc(CN2C(=O)NC(C)(c3ccc(C(C)C)cc3)C2=O)c1.
What is the InChIKey of 3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione?
The InChIKey is OWVPJIOKDJHFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37F6N3O4/c1-6-8-22-16-25(32(46,33(35,36)37)34(38,39)40)17-23(9-7-2)28(22)47-27-14-15-41-26(18-27)19-43-29(44)31(5,42-30(43)45)24-12-10-21(11-13-24)20(3)4/h10-18,20,46H,6-9,19H2,1-5H3,(H,42,45).
What are the key properties of 3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione?
3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dipropylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione has a molecular weight of 665.68 g/mol, XLogP of 8.18, 11 rotatable bonds, 2 hydrogen bond donors, and 5 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)-2,6-dipropylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 44538342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).