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

C24H24F7N3O2 — CID 10231172

IUPAC4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-(4-fluorophenyl)-1-piperidin-4-ylimidazolidin-2-one
SMILESO=C1NC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccc(F)cc2)CN1C1CCNCC1
InChIInChI=1S/C24H24F7N3O2/c25-19-3-1-16(2-4-19)22(13-34(21(35)33-22)20-5-7-32-8-6-20)14-36-12-15-9-17(23(26,27)28)11-18(10-15)24(29,30)31/h1-4,9-11,20,32H,5-8,12-14H2,(H,33,35)
InChIKeyPCROSQUDZNGXBN-UHFFFAOYSA-N
MW519.46 g/mol
LogP5.05
Rot. Bonds6

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

4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-(4-fluorophenyl)-1-piperidin-4-ylimidazolidin-2-one (PubChem CID 10231172) has the molecular formula C24H24F7N3O2 and a molecular weight of 519.46 g/mol. Its IUPAC name is 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-(4-fluorophenyl)-1-piperidin-4-ylimidazolidin-2-one.

Molecular Properties

Compound Name4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-(4-fluorophenyl)-1-piperidin-4-ylimidazolidin-2-one
PubChem CID10231172
Molecular FormulaC24H24F7N3O2
Molecular Weight519.46 g/mol
Exact Mass519.18
IUPAC Name4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-(4-fluorophenyl)-1-piperidin-4-ylimidazolidin-2-one
SMILESO=C1NC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccc(F)cc2)CN1C1CCNCC1
InChIInChI=1S/C24H24F7N3O2/c25-19-3-1-16(2-4-19)22(13-34(21(35)33-22)20-5-7-32-8-6-20)14-36-12-15-9-17(23(26,27)28)11-18(10-15)24(29,30)31/h1-4,9-11,20,32H,5-8,12-14H2,(H,33,35)
InChIKeyPCROSQUDZNGXBN-UHFFFAOYSA-N
XLogP5.05
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.46
LogP ≤ 55.05
H-Bond Donors ≤ 52
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-piperidin-4-ylimidazolidin-2-one?
The IUPAC name of 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-(4-fluorophenyl)-1-piperidin-4-ylimidazolidin-2-one (CID 10231172) is 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-(4-fluorophenyl)-1-piperidin-4-ylimidazolidin-2-one.
What is the SMILES notation for 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-(4-fluorophenyl)-1-piperidin-4-ylimidazolidin-2-one?
The canonical SMILES for 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-(4-fluorophenyl)-1-piperidin-4-ylimidazolidin-2-one is O=C1NC(COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccc(F)cc2)CN1C1CCNCC1.
What is the InChIKey of 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-(4-fluorophenyl)-1-piperidin-4-ylimidazolidin-2-one?
The InChIKey is PCROSQUDZNGXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F7N3O2/c25-19-3-1-16(2-4-19)22(13-34(21(35)33-22)20-5-7-32-8-6-20)14-36-12-15-9-17(23(26,27)28)11-18(10-15)24(29,30)31/h1-4,9-11,20,32H,5-8,12-14H2,(H,33,35).
What are the key properties of 4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-(4-fluorophenyl)-1-piperidin-4-ylimidazolidin-2-one?
4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-(4-fluorophenyl)-1-piperidin-4-ylimidazolidin-2-one has a molecular weight of 519.46 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 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-piperidin-4-ylimidazolidin-2-one is sourced from PubChem (CID 10231172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).