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

C32H27F6N3O4 — CID 59200909

IUPAC3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
SMILESCCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccnc(CN2C(=O)NC(C)(c3ccc4ccccc4c3)C2=O)c1
InChIInChI=1S/C32H27F6N3O4/c1-3-6-21-16-23(30(44,31(33,34)35)32(36,37)38)11-12-26(21)45-25-13-14-39-24(17-25)18-41-27(42)29(2,40-28(41)43)22-10-9-19-7-4-5-8-20(19)15-22/h4-5,7-17,44H,3,6,18H2,1-2H3,(H,40,43)
InChIKeyJGWZOBVPQBODIU-UHFFFAOYSA-N
MW631.57 g/mol
LogP7.26
Rot. Bonds8

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

3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione (PubChem CID 59200909) has the molecular formula C32H27F6N3O4 and a molecular weight of 631.57 g/mol. Its IUPAC name is 3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
PubChem CID59200909
Molecular FormulaC32H27F6N3O4
Molecular Weight631.57 g/mol
Exact Mass631.19
IUPAC Name3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
SMILESCCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccnc(CN2C(=O)NC(C)(c3ccc4ccccc4c3)C2=O)c1
InChIInChI=1S/C32H27F6N3O4/c1-3-6-21-16-23(30(44,31(33,34)35)32(36,37)38)11-12-26(21)45-25-13-14-39-24(17-25)18-41-27(42)29(2,40-28(41)43)22-10-9-19-7-4-5-8-20(19)15-22/h4-5,7-17,44H,3,6,18H2,1-2H3,(H,40,43)
InChIKeyJGWZOBVPQBODIU-UHFFFAOYSA-N
XLogP7.26
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.57
LogP ≤ 57.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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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-propylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
The IUPAC name of 3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione (CID 59200909) is 3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione is CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccnc(CN2C(=O)NC(C)(c3ccc4ccccc4c3)C2=O)c1.
What is the InChIKey of 3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
The InChIKey is JGWZOBVPQBODIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27F6N3O4/c1-3-6-21-16-23(30(44,31(33,34)35)32(36,37)38)11-12-26(21)45-25-13-14-39-24(17-25)18-41-27(42)29(2,40-28(41)43)22-10-9-19-7-4-5-8-20(19)15-22/h4-5,7-17,44H,3,6,18H2,1-2H3,(H,40,43).
What are the key properties of 3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
3-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione has a molecular weight of 631.57 g/mol, XLogP of 7.26, 8 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-propylphenoxy]-2-pyridinyl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 59200909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).