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

C31H32F6N4O5 — CID 59200912

IUPAC3-[2-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]ethyl]-5-methyl-5-(5-propan-2-yloxy-2-pyridinyl)imidazolidine-2,4-dione
SMILESCCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccc(CCN2C(=O)NC(C)(c3ccc(OC(C)C)cn3)C2=O)nc1
InChIInChI=1S/C31H32F6N4O5/c1-5-6-19-15-20(29(44,30(32,33)34)31(35,36)37)7-11-24(19)46-23-9-8-21(38-16-23)13-14-41-26(42)28(4,40-27(41)43)25-12-10-22(17-39-25)45-18(2)3/h7-12,15-18,44H,5-6,13-14H2,1-4H3,(H,40,43)
InChIKeyJWEXFDOCRVCJDC-UHFFFAOYSA-N
MW654.61 g/mol
LogP6.33
Rot. Bonds11

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

3-[2-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]ethyl]-5-methyl-5-(5-propan-2-yloxy-2-pyridinyl)imidazolidine-2,4-dione (PubChem CID 59200912) has the molecular formula C31H32F6N4O5 and a molecular weight of 654.61 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]-5-methyl-5-(5-propan-2-yloxy-2-pyridinyl)imidazolidine-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]-5-methyl-5-(5-propan-2-yloxy-2-pyridinyl)imidazolidine-2,4-dione
PubChem CID59200912
Molecular FormulaC31H32F6N4O5
Molecular Weight654.61 g/mol
Exact Mass654.23
IUPAC Name3-[2-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]ethyl]-5-methyl-5-(5-propan-2-yloxy-2-pyridinyl)imidazolidine-2,4-dione
SMILESCCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccc(CCN2C(=O)NC(C)(c3ccc(OC(C)C)cn3)C2=O)nc1
InChIInChI=1S/C31H32F6N4O5/c1-5-6-19-15-20(29(44,30(32,33)34)31(35,36)37)7-11-24(19)46-23-9-8-21(38-16-23)13-14-41-26(42)28(4,40-27(41)43)25-12-10-22(17-39-25)45-18(2)3/h7-12,15-18,44H,5-6,13-14H2,1-4H3,(H,40,43)
InChIKeyJWEXFDOCRVCJDC-UHFFFAOYSA-N
XLogP6.33
TPSA113.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.61
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]ethyl]-5-methyl-5-(5-propan-2-yloxy-2-pyridinyl)imidazolidine-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]-5-methyl-5-(5-propan-2-yloxy-2-pyridinyl)imidazolidine-2,4-dione (CID 59200912) is 3-[2-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]ethyl]-5-methyl-5-(5-propan-2-yloxy-2-pyridinyl)imidazolidine-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]-5-methyl-5-(5-propan-2-yloxy-2-pyridinyl)imidazolidine-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]-5-methyl-5-(5-propan-2-yloxy-2-pyridinyl)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)cn3)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]-5-methyl-5-(5-propan-2-yloxy-2-pyridinyl)imidazolidine-2,4-dione?
The InChIKey is JWEXFDOCRVCJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F6N4O5/c1-5-6-19-15-20(29(44,30(32,33)34)31(35,36)37)7-11-24(19)46-23-9-8-21(38-16-23)13-14-41-26(42)28(4,40-27(41)43)25-12-10-22(17-39-25)45-18(2)3/h7-12,15-18,44H,5-6,13-14H2,1-4H3,(H,40,43).
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]-5-methyl-5-(5-propan-2-yloxy-2-pyridinyl)imidazolidine-2,4-dione?
3-[2-[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]ethyl]-5-methyl-5-(5-propan-2-yloxy-2-pyridinyl)imidazolidine-2,4-dione has a molecular weight of 654.61 g/mol, XLogP of 6.33, 11 rotatable bonds, 2 hydrogen bond donors, and 7 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]-5-methyl-5-(5-propan-2-yloxy-2-pyridinyl)imidazolidine-2,4-dione is sourced from PubChem (CID 59200912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).