4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)imidazolidin-2-one

C25H26F7N3O2 — CID 22960738

IUPAC4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)imidazolidin-2-one
SMILESCN1CCC(N2CC(COCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(c3ccc(F)cc3)NC2=O)CC1
InChIInChI=1S/C25H26F7N3O2/c1-34-8-6-21(7-9-34)35-14-23(33-22(35)36,17-2-4-20(26)5-3-17)15-37-13-16-10-18(24(27,28)29)12-19(11-16)25(30,31)32/h2-5,10-12,21H,6-9,13-15H2,1H3,(H,33,36)
InChIKeyJNFUTZSQRSWFOX-UHFFFAOYSA-N
MW533.49 g/mol
LogP5.39
Rot. Bonds6

About 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)imidazolidin-2-one

4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)imidazolidin-2-one (PubChem CID 22960738) has the molecular formula C25H26F7N3O2 and a molecular weight of 533.49 g/mol. Its IUPAC name is 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)imidazolidin-2-one.

Molecular Properties

Compound Name4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)imidazolidin-2-one
PubChem CID22960738
Molecular FormulaC25H26F7N3O2
Molecular Weight533.49 g/mol
Exact Mass533.19
IUPAC Name4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)imidazolidin-2-one
SMILESCN1CCC(N2CC(COCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(c3ccc(F)cc3)NC2=O)CC1
InChIInChI=1S/C25H26F7N3O2/c1-34-8-6-21(7-9-34)35-14-23(33-22(35)36,17-2-4-20(26)5-3-17)15-37-13-16-10-18(24(27,28)29)12-19(11-16)25(30,31)32/h2-5,10-12,21H,6-9,13-15H2,1H3,(H,33,36)
InChIKeyJNFUTZSQRSWFOX-UHFFFAOYSA-N
XLogP5.39
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.49
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)imidazolidin-2-one?
The IUPAC name of 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)imidazolidin-2-one (CID 22960738) is 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)imidazolidin-2-one.
What is the SMILES notation for 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)imidazolidin-2-one?
The canonical SMILES for 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)imidazolidin-2-one is CN1CCC(N2CC(COCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(c3ccc(F)cc3)NC2=O)CC1.
What is the InChIKey of 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)imidazolidin-2-one?
The InChIKey is JNFUTZSQRSWFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F7N3O2/c1-34-8-6-21(7-9-34)35-14-23(33-22(35)36,17-2-4-20(26)5-3-17)15-37-13-16-10-18(24(27,28)29)12-19(11-16)25(30,31)32/h2-5,10-12,21H,6-9,13-15H2,1H3,(H,33,36).
What are the key properties of 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)imidazolidin-2-one?
4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)imidazolidin-2-one has a molecular weight of 533.49 g/mol, XLogP of 5.39, 6 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-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)imidazolidin-2-one is sourced from PubChem (CID 22960738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).