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

C24H27FN4O — CID 10409070

IUPAC1-[2-[4-[3-(4-fluorophenyl)indol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCN1CCC(n2cc(-c3ccc(F)cc3)c3ccccc32)CC1
InChIInChI=1S/C24H27FN4O/c25-19-7-5-18(6-8-19)22-17-29(23-4-2-1-3-21(22)23)20-9-12-27(13-10-20)15-16-28-14-11-26-24(28)30/h1-8,17,20H,9-16H2,(H,26,30)
InChIKeyTWERGYLJSRWLJS-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.11
Rot. Bonds5

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

1-[2-[4-[3-(4-fluorophenyl)indol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one (PubChem CID 10409070) has the molecular formula C24H27FN4O and a molecular weight of 406.51 g/mol. Its IUPAC name is 1-[2-[4-[3-(4-fluorophenyl)indol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[3-(4-fluorophenyl)indol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
PubChem CID10409070
Molecular FormulaC24H27FN4O
Molecular Weight406.51 g/mol
Exact Mass406.22
IUPAC Name1-[2-[4-[3-(4-fluorophenyl)indol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCN1CCC(n2cc(-c3ccc(F)cc3)c3ccccc32)CC1
InChIInChI=1S/C24H27FN4O/c25-19-7-5-18(6-8-19)22-17-29(23-4-2-1-3-21(22)23)20-9-12-27(13-10-20)15-16-28-14-11-26-24(28)30/h1-8,17,20H,9-16H2,(H,26,30)
InChIKeyTWERGYLJSRWLJS-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[3-(4-fluorophenyl)indol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-[3-(4-fluorophenyl)indol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one (CID 10409070) is 1-[2-[4-[3-(4-fluorophenyl)indol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-[3-(4-fluorophenyl)indol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-[3-(4-fluorophenyl)indol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one is O=C1NCCN1CCN1CCC(n2cc(-c3ccc(F)cc3)c3ccccc32)CC1.
What is the InChIKey of 1-[2-[4-[3-(4-fluorophenyl)indol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The InChIKey is TWERGYLJSRWLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O/c25-19-7-5-18(6-8-19)22-17-29(23-4-2-1-3-21(22)23)20-9-12-27(13-10-20)15-16-28-14-11-26-24(28)30/h1-8,17,20H,9-16H2,(H,26,30).
What are the key properties of 1-[2-[4-[3-(4-fluorophenyl)indol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
1-[2-[4-[3-(4-fluorophenyl)indol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one has a molecular weight of 406.51 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[3-(4-fluorophenyl)indol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 10409070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).