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

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Related Compounds

CID 60149
CID 60149
CID 118892432
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CID 9862272
CID 9862272
CID 10826147
CID 10826147
CID 145925651
CID 145925651
CID 9932698
CID 9932698
CID 10788685
CID 10788685
CID 11742071
CID 11742071
CID 11742887
CID 11742887
CID 15006415
CID 15006415
CID 15006455
CID 15006455
CID 15006457
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).