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

C23H25ClFN5O — CID 15006416

IUPAC1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperazin-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCN1CCN(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1
InChIInChI=1S/C23H25ClFN5O/c24-17-1-6-21-20(15-17)22(16-30(21)19-4-2-18(25)3-5-19)28-12-9-27(10-13-28)11-14-29-8-7-26-23(29)31/h1-6,15-16H,7-14H2,(H,26,31)
InChIKeyYWEZQLWOBZAAFY-UHFFFAOYSA-N
MW441.94 g/mol
LogP3.57
Rot. Bonds5

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

1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperazin-1-yl]ethyl]imidazolidin-2-one (PubChem CID 15006416) has the molecular formula C23H25ClFN5O and a molecular weight of 441.94 g/mol. Its IUPAC name is 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperazin-1-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperazin-1-yl]ethyl]imidazolidin-2-one
PubChem CID15006416
Molecular FormulaC23H25ClFN5O
Molecular Weight441.94 g/mol
Exact Mass441.17
IUPAC Name1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperazin-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCN1CCN(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1
InChIInChI=1S/C23H25ClFN5O/c24-17-1-6-21-20(15-17)22(16-30(21)19-4-2-18(25)3-5-19)28-12-9-27(10-13-28)11-14-29-8-7-26-23(29)31/h1-6,15-16H,7-14H2,(H,26,31)
InChIKeyYWEZQLWOBZAAFY-UHFFFAOYSA-N
XLogP3.57
TPSA43.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.94
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperazin-1-yl]ethyl]imidazolidin-2-one with MolForge

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Related Compounds

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1-(2-(4-(5-(aminomethyl)-1-(4-fluorophenyl)-1H-indol-3-yl)piperidin-1-yl)ethyl)imidazolidin-2-one
CID 9932698
1-[3-({2-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-ethyl}-methyl-amino)-propyl]-imidazolidin-2-one
CID 10788685
1-(4-Fluorophenyl)-3-[1-[2-(2-oxo-1-imidazolidinyl)ethyl]-4-piperidinyl]-1H-indole
CID 11742071
1-(2-{4-[1-(4-Fluoro-phenyl)-6-methyl-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-imidazolidin-2-one
CID 11742887
5-Chloro-1-(4-fluoro-phenyl)-3-(4-methyl-piperazin-1-yl)-1H-indole
CID 15006415
1-(2-{4-[5-Fluoro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-imidazolidin-2-one
CID 15006455
1-(2-{4-[1-(4-Fluoro-phenyl)-5-methyl-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-imidazolidin-2-one
CID 15006457

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperazin-1-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperazin-1-yl]ethyl]imidazolidin-2-one (CID 15006416) is 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperazin-1-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperazin-1-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperazin-1-yl]ethyl]imidazolidin-2-one is O=C1NCCN1CCN1CCN(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1.
What is the InChIKey of 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperazin-1-yl]ethyl]imidazolidin-2-one?
The InChIKey is YWEZQLWOBZAAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClFN5O/c24-17-1-6-21-20(15-17)22(16-30(21)19-4-2-18(25)3-5-19)28-12-9-27(10-13-28)11-14-29-8-7-26-23(29)31/h1-6,15-16H,7-14H2,(H,26,31).
What are the key properties of 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperazin-1-yl]ethyl]imidazolidin-2-one?
1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperazin-1-yl]ethyl]imidazolidin-2-one has a molecular weight of 441.94 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperazin-1-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 15006416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).