5-ethoxy-4-hydroxy-1-methyl-3-[4-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]imidazolidin-2-one

C13H14F5N3O3 — CID 118019314

IUPAC5-ethoxy-4-hydroxy-1-methyl-3-[4-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]imidazolidin-2-one
SMILESCCOC1C(O)N(c2cc(C(F)(F)C(F)(F)F)ccn2)C(=O)N1C
InChIInChI=1S/C13H14F5N3O3/c1-3-24-10-9(22)21(11(23)20(10)2)8-6-7(4-5-19-8)12(14,15)13(16,17)18/h4-6,9-10,22H,3H2,1-2H3
InChIKeyURYGPEWDJUZAEB-UHFFFAOYSA-N
MW355.26 g/mol
LogP2.29
Rot. Bonds4

About 5-ethoxy-4-hydroxy-1-methyl-3-[4-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]imidazolidin-2-one

5-ethoxy-4-hydroxy-1-methyl-3-[4-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]imidazolidin-2-one (PubChem CID 118019314) has the molecular formula C13H14F5N3O3 and a molecular weight of 355.26 g/mol. Its IUPAC name is 5-ethoxy-4-hydroxy-1-methyl-3-[4-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name5-ethoxy-4-hydroxy-1-methyl-3-[4-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]imidazolidin-2-one
PubChem CID118019314
Molecular FormulaC13H14F5N3O3
Molecular Weight355.26 g/mol
Exact Mass355.10
IUPAC Name5-ethoxy-4-hydroxy-1-methyl-3-[4-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]imidazolidin-2-one
SMILESCCOC1C(O)N(c2cc(C(F)(F)C(F)(F)F)ccn2)C(=O)N1C
InChIInChI=1S/C13H14F5N3O3/c1-3-24-10-9(22)21(11(23)20(10)2)8-6-7(4-5-19-8)12(14,15)13(16,17)18/h4-6,9-10,22H,3H2,1-2H3
InChIKeyURYGPEWDJUZAEB-UHFFFAOYSA-N
XLogP2.29
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-4-hydroxy-1-methyl-3-[4-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]imidazolidin-2-one?
The IUPAC name of 5-ethoxy-4-hydroxy-1-methyl-3-[4-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]imidazolidin-2-one (CID 118019314) is 5-ethoxy-4-hydroxy-1-methyl-3-[4-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for 5-ethoxy-4-hydroxy-1-methyl-3-[4-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 5-ethoxy-4-hydroxy-1-methyl-3-[4-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]imidazolidin-2-one is CCOC1C(O)N(c2cc(C(F)(F)C(F)(F)F)ccn2)C(=O)N1C.
What is the InChIKey of 5-ethoxy-4-hydroxy-1-methyl-3-[4-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]imidazolidin-2-one?
The InChIKey is URYGPEWDJUZAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F5N3O3/c1-3-24-10-9(22)21(11(23)20(10)2)8-6-7(4-5-19-8)12(14,15)13(16,17)18/h4-6,9-10,22H,3H2,1-2H3.
What are the key properties of 5-ethoxy-4-hydroxy-1-methyl-3-[4-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]imidazolidin-2-one?
5-ethoxy-4-hydroxy-1-methyl-3-[4-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]imidazolidin-2-one has a molecular weight of 355.26 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-4-hydroxy-1-methyl-3-[4-(1,1,2,2,2-pentafluoroethyl)-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 118019314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).