5-(2,3-dihydro-1-benzofuran-5-yl)-3-[[6-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione

C30H27F6N3O5 — CID 59200971

IUPAC5-(2,3-dihydro-1-benzofuran-5-yl)-3-[[6-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione
SMILESCCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1cccc(CN2C(=O)NC(C)(c3ccc4c(c3)CCO4)C2=O)n1
InChIInChI=1S/C30H27F6N3O5/c1-3-5-17-15-20(28(42,29(31,32)33)30(34,35)36)9-11-23(17)44-24-7-4-6-21(37-24)16-39-25(40)27(2,38-26(39)41)19-8-10-22-18(14-19)12-13-43-22/h4,6-11,14-15,42H,3,5,12-13,16H2,1-2H3,(H,38,41)
InChIKeyTXATUGICHFSJEO-UHFFFAOYSA-N
MW623.55 g/mol
LogP6.04
Rot. Bonds8

About 5-(2,3-dihydro-1-benzofuran-5-yl)-3-[[6-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione

5-(2,3-dihydro-1-benzofuran-5-yl)-3-[[6-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 59200971) has the molecular formula C30H27F6N3O5 and a molecular weight of 623.55 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-5-yl)-3-[[6-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzofuran-5-yl)-3-[[6-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione
PubChem CID59200971
Molecular FormulaC30H27F6N3O5
Molecular Weight623.55 g/mol
Exact Mass623.19
IUPAC Name5-(2,3-dihydro-1-benzofuran-5-yl)-3-[[6-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione
SMILESCCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1cccc(CN2C(=O)NC(C)(c3ccc4c(c3)CCO4)C2=O)n1
InChIInChI=1S/C30H27F6N3O5/c1-3-5-17-15-20(28(42,29(31,32)33)30(34,35)36)9-11-23(17)44-24-7-4-6-21(37-24)16-39-25(40)27(2,38-26(39)41)19-8-10-22-18(14-19)12-13-43-22/h4,6-11,14-15,42H,3,5,12-13,16H2,1-2H3,(H,38,41)
InChIKeyTXATUGICHFSJEO-UHFFFAOYSA-N
XLogP6.04
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.55
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-yl)-3-[[6-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-yl)-3-[[6-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione (CID 59200971) is 5-(2,3-dihydro-1-benzofuran-5-yl)-3-[[6-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-5-yl)-3-[[6-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-5-yl)-3-[[6-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione is CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1cccc(CN2C(=O)NC(C)(c3ccc4c(c3)CCO4)C2=O)n1.
What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-5-yl)-3-[[6-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is TXATUGICHFSJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27F6N3O5/c1-3-5-17-15-20(28(42,29(31,32)33)30(34,35)36)9-11-23(17)44-24-7-4-6-21(37-24)16-39-25(40)27(2,38-26(39)41)19-8-10-22-18(14-19)12-13-43-22/h4,6-11,14-15,42H,3,5,12-13,16H2,1-2H3,(H,38,41).
What are the key properties of 5-(2,3-dihydro-1-benzofuran-5-yl)-3-[[6-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione?
5-(2,3-dihydro-1-benzofuran-5-yl)-3-[[6-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 623.55 g/mol, XLogP of 6.04, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzofuran-5-yl)-3-[[6-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]-2-pyridinyl]methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 59200971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).