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

C27H31F6N3O2 — CID 138968163

IUPAC3-[3,5-bis(trifluoromethyl)phenyl]-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one
SMILESCC1(C)CCCC(C)(C)N1OCC1CN(c2ccccc2)C(=O)N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C27H31F6N3O2/c1-24(2)11-8-12-25(3,4)36(24)38-17-22-16-34(20-9-6-5-7-10-20)23(37)35(22)21-14-18(26(28,29)30)13-19(15-21)27(31,32)33/h5-7,9-10,13-15,22H,8,11-12,16-17H2,1-4H3
InChIKeyJQIYBJVLGHOERO-UHFFFAOYSA-N
MW543.55 g/mol
LogP7.51
Rot. Bonds5

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

3-[3,5-bis(trifluoromethyl)phenyl]-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one (PubChem CID 138968163) has the molecular formula C27H31F6N3O2 and a molecular weight of 543.55 g/mol. Its IUPAC name is 3-[3,5-bis(trifluoromethyl)phenyl]-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one.

Molecular Properties

Compound Name3-[3,5-bis(trifluoromethyl)phenyl]-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one
PubChem CID138968163
Molecular FormulaC27H31F6N3O2
Molecular Weight543.55 g/mol
Exact Mass543.23
IUPAC Name3-[3,5-bis(trifluoromethyl)phenyl]-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one
SMILESCC1(C)CCCC(C)(C)N1OCC1CN(c2ccccc2)C(=O)N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C27H31F6N3O2/c1-24(2)11-8-12-25(3,4)36(24)38-17-22-16-34(20-9-6-5-7-10-20)23(37)35(22)21-14-18(26(28,29)30)13-19(15-21)27(31,32)33/h5-7,9-10,13-15,22H,8,11-12,16-17H2,1-4H3
InChIKeyJQIYBJVLGHOERO-UHFFFAOYSA-N
XLogP7.51
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.55
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis(trifluoromethyl)phenyl]-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one?
The IUPAC name of 3-[3,5-bis(trifluoromethyl)phenyl]-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one (CID 138968163) is 3-[3,5-bis(trifluoromethyl)phenyl]-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one.
What is the SMILES notation for 3-[3,5-bis(trifluoromethyl)phenyl]-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one?
The canonical SMILES for 3-[3,5-bis(trifluoromethyl)phenyl]-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one is CC1(C)CCCC(C)(C)N1OCC1CN(c2ccccc2)C(=O)N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[3,5-bis(trifluoromethyl)phenyl]-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one?
The InChIKey is JQIYBJVLGHOERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F6N3O2/c1-24(2)11-8-12-25(3,4)36(24)38-17-22-16-34(20-9-6-5-7-10-20)23(37)35(22)21-14-18(26(28,29)30)13-19(15-21)27(31,32)33/h5-7,9-10,13-15,22H,8,11-12,16-17H2,1-4H3.
What are the key properties of 3-[3,5-bis(trifluoromethyl)phenyl]-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one?
3-[3,5-bis(trifluoromethyl)phenyl]-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one has a molecular weight of 543.55 g/mol, XLogP of 7.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis(trifluoromethyl)phenyl]-1-phenyl-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]imidazolidin-2-one is sourced from PubChem (CID 138968163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).