1-[2-[4-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one

C25H26F4N4O — CID 15006458

IUPAC1-[2-[4-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(C(F)(F)F)cc23)CC1
InChIInChI=1S/C25H26F4N4O/c26-19-2-4-20(5-3-19)33-16-22(21-15-18(25(27,28)29)1-6-23(21)33)17-7-10-31(11-8-17)13-14-32-12-9-30-24(32)34/h1-6,15-17H,7-14H2,(H,30,34)
InChIKeyWYZQZAVJYFIRQK-UHFFFAOYSA-N
MW474.50 g/mol
LogP4.99
Rot. Bonds5

About 1-[2-[4-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one

1-[2-[4-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one (PubChem CID 15006458) has the molecular formula C25H26F4N4O and a molecular weight of 474.50 g/mol. Its IUPAC name is 1-[2-[4-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
PubChem CID15006458
Molecular FormulaC25H26F4N4O
Molecular Weight474.50 g/mol
Exact Mass474.20
IUPAC Name1-[2-[4-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(C(F)(F)F)cc23)CC1
InChIInChI=1S/C25H26F4N4O/c26-19-2-4-20(5-3-19)33-16-22(21-15-18(25(27,28)29)1-6-23(21)33)17-7-10-31(11-8-17)13-14-32-12-9-30-24(32)34/h1-6,15-17H,7-14H2,(H,30,34)
InChIKeyWYZQZAVJYFIRQK-UHFFFAOYSA-N
XLogP4.99
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.50
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one (CID 15006458) is 1-[2-[4-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one is O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(C(F)(F)F)cc23)CC1.
What is the InChIKey of 1-[2-[4-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The InChIKey is WYZQZAVJYFIRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F4N4O/c26-19-2-4-20(5-3-19)33-16-22(21-15-18(25(27,28)29)1-6-23(21)33)17-7-10-31(11-8-17)13-14-32-12-9-30-24(32)34/h1-6,15-17H,7-14H2,(H,30,34).
What are the key properties of 1-[2-[4-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
1-[2-[4-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one has a molecular weight of 474.50 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[1-(4-fluorophenyl)-5-(trifluoromethyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 15006458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).