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

C26H32F3N3O2 — CID 138968162

IUPAC1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESCC1(C)CCCC(C)(C)N1OCC1CN(c2ccccc2)C(=O)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C26H32F3N3O2/c1-24(2)15-8-16-25(3,4)32(24)34-18-22-17-30(20-9-6-5-7-10-20)23(33)31(22)21-13-11-19(12-14-21)26(27,28)29/h5-7,9-14,22H,8,15-18H2,1-4H3
InChIKeyRFEMCYAOGVCRTF-UHFFFAOYSA-N
MW475.56 g/mol
LogP6.50
Rot. Bonds5

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

1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one (PubChem CID 138968162) has the molecular formula C26H32F3N3O2 and a molecular weight of 475.56 g/mol. Its IUPAC name is 1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one
PubChem CID138968162
Molecular FormulaC26H32F3N3O2
Molecular Weight475.56 g/mol
Exact Mass475.24
IUPAC Name1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESCC1(C)CCCC(C)(C)N1OCC1CN(c2ccccc2)C(=O)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C26H32F3N3O2/c1-24(2)15-8-16-25(3,4)32(24)34-18-22-17-30(20-9-6-5-7-10-20)23(33)31(22)21-13-11-19(12-14-21)26(27,28)29/h5-7,9-14,22H,8,15-18H2,1-4H3
InChIKeyRFEMCYAOGVCRTF-UHFFFAOYSA-N
XLogP6.50
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.56
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one?
The IUPAC name of 1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one (CID 138968162) is 1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one is CC1(C)CCCC(C)(C)N1OCC1CN(c2ccccc2)C(=O)N1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one?
The InChIKey is RFEMCYAOGVCRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F3N3O2/c1-24(2)15-8-16-25(3,4)32(24)34-18-22-17-30(20-9-6-5-7-10-20)23(33)31(22)21-13-11-19(12-14-21)26(27,28)29/h5-7,9-14,22H,8,15-18H2,1-4H3.
What are the key properties of 1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one?
1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one has a molecular weight of 475.56 g/mol, XLogP of 6.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 138968162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).