3-(2,3,4,5,6-pentafluorophenyl)-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one

C25H28F5N3O2 — CID 138968165

IUPAC3-(2,3,4,5,6-pentafluorophenyl)-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one
SMILESCC1(C)CCCC(C)(C)N1OCC1CN(c2ccccc2)C(=O)N1c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C25H28F5N3O2/c1-24(2)11-8-12-25(3,4)33(24)35-14-16-13-31(15-9-6-5-7-10-15)23(34)32(16)22-20(29)18(27)17(26)19(28)21(22)30/h5-7,9-10,16H,8,11-14H2,1-4H3
InChIKeyFQDYZGRXJOCKOD-UHFFFAOYSA-N
MW497.51 g/mol
LogP6.17
Rot. Bonds5

About 3-(2,3,4,5,6-pentafluorophenyl)-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one

3-(2,3,4,5,6-pentafluorophenyl)-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one (PubChem CID 138968165) has the molecular formula C25H28F5N3O2 and a molecular weight of 497.51 g/mol. Its IUPAC name is 3-(2,3,4,5,6-pentafluorophenyl)-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one.

Molecular Properties

Compound Name3-(2,3,4,5,6-pentafluorophenyl)-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one
PubChem CID138968165
Molecular FormulaC25H28F5N3O2
Molecular Weight497.51 g/mol
Exact Mass497.21
IUPAC Name3-(2,3,4,5,6-pentafluorophenyl)-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one
SMILESCC1(C)CCCC(C)(C)N1OCC1CN(c2ccccc2)C(=O)N1c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C25H28F5N3O2/c1-24(2)11-8-12-25(3,4)33(24)35-14-16-13-31(15-9-6-5-7-10-15)23(34)32(16)22-20(29)18(27)17(26)19(28)21(22)30/h5-7,9-10,16H,8,11-14H2,1-4H3
InChIKeyFQDYZGRXJOCKOD-UHFFFAOYSA-N
XLogP6.17
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.51
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4,5,6-pentafluorophenyl)-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one?
The IUPAC name of 3-(2,3,4,5,6-pentafluorophenyl)-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one (CID 138968165) is 3-(2,3,4,5,6-pentafluorophenyl)-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one.
What is the SMILES notation for 3-(2,3,4,5,6-pentafluorophenyl)-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one?
The canonical SMILES for 3-(2,3,4,5,6-pentafluorophenyl)-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one is CC1(C)CCCC(C)(C)N1OCC1CN(c2ccccc2)C(=O)N1c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 3-(2,3,4,5,6-pentafluorophenyl)-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one?
The InChIKey is FQDYZGRXJOCKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F5N3O2/c1-24(2)11-8-12-25(3,4)33(24)35-14-16-13-31(15-9-6-5-7-10-15)23(34)32(16)22-20(29)18(27)17(26)19(28)21(22)30/h5-7,9-10,16H,8,11-14H2,1-4H3.
What are the key properties of 3-(2,3,4,5,6-pentafluorophenyl)-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one?
3-(2,3,4,5,6-pentafluorophenyl)-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one has a molecular weight of 497.51 g/mol, XLogP of 6.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4,5,6-pentafluorophenyl)-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one is sourced from PubChem (CID 138968165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).