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

C24H27FN4O — CID 11742071

IUPAC1-[2-[4-[1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccccc23)CC1
InChIInChI=1S/C24H27FN4O/c25-19-5-7-20(8-6-19)29-17-22(21-3-1-2-4-23(21)29)18-9-12-27(13-10-18)15-16-28-14-11-26-24(28)30/h1-8,17-18H,9-16H2,(H,26,30)
InChIKeyQPOLRENOYJQNEP-UHFFFAOYSA-N
MW406.51 g/mol
LogP3.97
Rot. Bonds5

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

1-[2-[4-[1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one (PubChem CID 11742071) has the molecular formula C24H27FN4O and a molecular weight of 406.51 g/mol. Its IUPAC name is 1-[2-[4-[1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
PubChem CID11742071
Molecular FormulaC24H27FN4O
Molecular Weight406.51 g/mol
Exact Mass406.22
IUPAC Name1-[2-[4-[1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccccc23)CC1
InChIInChI=1S/C24H27FN4O/c25-19-5-7-20(8-6-19)29-17-22(21-3-1-2-4-23(21)29)18-9-12-27(13-10-18)15-16-28-14-11-26-24(28)30/h1-8,17-18H,9-16H2,(H,26,30)
InChIKeyQPOLRENOYJQNEP-UHFFFAOYSA-N
XLogP3.97
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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PF-750
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3-[(4-Phenylpiperazino)methyl]-1h-indole
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3-{[4-(4-fluorophenyl)piperazino]methyl}-1H-indole
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N-[3-fluoro-4-(1-pyrrolidinyl)benzyl]-N'-(3-methyl-5-isoquinolinyl)urea
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CID 10851078

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-[1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one (CID 11742071) is 1-[2-[4-[1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-[1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-[1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one is O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccccc23)CC1.
What is the InChIKey of 1-[2-[4-[1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The InChIKey is QPOLRENOYJQNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O/c25-19-5-7-20(8-6-19)29-17-22(21-3-1-2-4-23(21)29)18-9-12-27(13-10-18)15-16-28-14-11-26-24(28)30/h1-8,17-18H,9-16H2,(H,26,30).
What are the key properties of 1-[2-[4-[1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
1-[2-[4-[1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one has a molecular weight of 406.51 g/mol, XLogP of 3.97, 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)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 11742071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).