4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-(2-piperidin-1-ylethyl)imidazolidin-2-one

C26H29F6N3O2 — CID 22960743

IUPAC4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-(2-piperidin-1-ylethyl)imidazolidin-2-one
SMILESO=C1NC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CN1CCN1CCCCC1
InChIInChI=1S/C26H29F6N3O2/c27-25(28,29)21-13-19(14-22(15-21)26(30,31)32)16-37-18-24(20-7-3-1-4-8-20)17-35(23(36)33-24)12-11-34-9-5-2-6-10-34/h1,3-4,7-8,13-15H,2,5-6,9-12,16-18H2,(H,33,36)
InChIKeyBBBVFXZICCFPRS-UHFFFAOYSA-N
MW529.53 g/mol
LogP5.65
Rot. Bonds8

About 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-(2-piperidin-1-ylethyl)imidazolidin-2-one

4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-(2-piperidin-1-ylethyl)imidazolidin-2-one (PubChem CID 22960743) has the molecular formula C26H29F6N3O2 and a molecular weight of 529.53 g/mol. Its IUPAC name is 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-(2-piperidin-1-ylethyl)imidazolidin-2-one.

Molecular Properties

Compound Name4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-(2-piperidin-1-ylethyl)imidazolidin-2-one
PubChem CID22960743
Molecular FormulaC26H29F6N3O2
Molecular Weight529.53 g/mol
Exact Mass529.22
IUPAC Name4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-(2-piperidin-1-ylethyl)imidazolidin-2-one
SMILESO=C1NC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CN1CCN1CCCCC1
InChIInChI=1S/C26H29F6N3O2/c27-25(28,29)21-13-19(14-22(15-21)26(30,31)32)16-37-18-24(20-7-3-1-4-8-20)17-35(23(36)33-24)12-11-34-9-5-2-6-10-34/h1,3-4,7-8,13-15H,2,5-6,9-12,16-18H2,(H,33,36)
InChIKeyBBBVFXZICCFPRS-UHFFFAOYSA-N
XLogP5.65
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.53
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-piperidin-1-ylimidazolidin-2-one
CID 154533305
4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-(4-fluorophenyl)-1-(2-morpholin-4-ylethyl)imidazolidin-2-one
CID 10302736
4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1-methyl-4-phenylimidazolidin-2-one
CID 22960728
[(4R)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-oxo-4-phenylimidazolidin-1-yl]phosphonic acid
CID 10234709
5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-hydroxy-5-phenyl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one
CID 162602689
2-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenylpyrrolidine
CID 19960152
(3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-1-methyl-3-phenylazepane
CID 71583096
CID 162077019
CID 162077019
1-[(1-phenylcyclohexyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene
CID 71583093
(3S,5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-5-phenylpyrrolidin-3-amine
CID 58633749
2-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidin-1-yl]acetic acid
CID 19960197
methyl 4-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidin-1-yl]butanoate;hydrochloride
CID 19960232

Frequently Asked Questions

What is the IUPAC name of 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-(2-piperidin-1-ylethyl)imidazolidin-2-one?
The IUPAC name of 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-(2-piperidin-1-ylethyl)imidazolidin-2-one (CID 22960743) is 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-(2-piperidin-1-ylethyl)imidazolidin-2-one.
What is the SMILES notation for 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-(2-piperidin-1-ylethyl)imidazolidin-2-one?
The canonical SMILES for 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-(2-piperidin-1-ylethyl)imidazolidin-2-one is O=C1NC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)CN1CCN1CCCCC1.
What is the InChIKey of 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-(2-piperidin-1-ylethyl)imidazolidin-2-one?
The InChIKey is BBBVFXZICCFPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F6N3O2/c27-25(28,29)21-13-19(14-22(15-21)26(30,31)32)16-37-18-24(20-7-3-1-4-8-20)17-35(23(36)33-24)12-11-34-9-5-2-6-10-34/h1,3-4,7-8,13-15H,2,5-6,9-12,16-18H2,(H,33,36).
What are the key properties of 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-(2-piperidin-1-ylethyl)imidazolidin-2-one?
4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-(2-piperidin-1-ylethyl)imidazolidin-2-one has a molecular weight of 529.53 g/mol, XLogP of 5.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenyl-1-(2-piperidin-1-ylethyl)imidazolidin-2-one is sourced from PubChem (CID 22960743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).