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

C24H26ClFN4O — CID 10003405

IUPAC1-[2-[4-[5-chloro-3-(4-fluorophenyl)indol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCN1CCC(n2cc(-c3ccc(F)cc3)c3cc(Cl)ccc32)CC1
InChIInChI=1S/C24H26ClFN4O/c25-18-3-6-23-21(15-18)22(17-1-4-19(26)5-2-17)16-30(23)20-7-10-28(11-8-20)13-14-29-12-9-27-24(29)31/h1-6,15-16,20H,7-14H2,(H,27,31)
InChIKeyNPMRTXFAPRHTBW-UHFFFAOYSA-N
MW440.95 g/mol
LogP4.76
Rot. Bonds5

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

1-[2-[4-[5-chloro-3-(4-fluorophenyl)indol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one (PubChem CID 10003405) has the molecular formula C24H26ClFN4O and a molecular weight of 440.95 g/mol. Its IUPAC name is 1-[2-[4-[5-chloro-3-(4-fluorophenyl)indol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[5-chloro-3-(4-fluorophenyl)indol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
PubChem CID10003405
Molecular FormulaC24H26ClFN4O
Molecular Weight440.95 g/mol
Exact Mass440.18
IUPAC Name1-[2-[4-[5-chloro-3-(4-fluorophenyl)indol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCN1CCC(n2cc(-c3ccc(F)cc3)c3cc(Cl)ccc32)CC1
InChIInChI=1S/C24H26ClFN4O/c25-18-3-6-23-21(15-18)22(17-1-4-19(26)5-2-17)16-30(23)20-7-10-28(11-8-20)13-14-29-12-9-27-24(29)31/h1-6,15-16,20H,7-14H2,(H,27,31)
InChIKeyNPMRTXFAPRHTBW-UHFFFAOYSA-N
XLogP4.76
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.95
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

Sertindole
CID 60149
5-Chloro-1-(4-fluorophenyl)-3-(piperidin-4-yl)-1H-indole
CID 9862272
3-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole
CID 44413409
1-(2-(4-(5-(aminomethyl)-1-(4-fluorophenyl)-1H-indol-3-yl)piperidin-1-yl)ethyl)imidazolidin-2-one
CID 9932698
1-(2-{4-[1-(4-Fluoro-phenyl)-2-methyl-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-imidazolidin-2-one
CID 10387431
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
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
1-(4-Fluorophenyl)-5-trifluoromethyl-3-[1-[2-(2-oxo-1-imidazolidinyl)ethyl]-4-piperidinyl]-1H-indole
CID 15006458
1-(3-{4-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-piperidin-1-yl}-propyl)-imidazolidin-2-one
CID 15006460

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[5-chloro-3-(4-fluorophenyl)indol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-[5-chloro-3-(4-fluorophenyl)indol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one (CID 10003405) is 1-[2-[4-[5-chloro-3-(4-fluorophenyl)indol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-[5-chloro-3-(4-fluorophenyl)indol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-[5-chloro-3-(4-fluorophenyl)indol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one is O=C1NCCN1CCN1CCC(n2cc(-c3ccc(F)cc3)c3cc(Cl)ccc32)CC1.
What is the InChIKey of 1-[2-[4-[5-chloro-3-(4-fluorophenyl)indol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The InChIKey is NPMRTXFAPRHTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN4O/c25-18-3-6-23-21(15-18)22(17-1-4-19(26)5-2-17)16-30(23)20-7-10-28(11-8-20)13-14-29-12-9-27-24(29)31/h1-6,15-16,20H,7-14H2,(H,27,31).
What are the key properties of 1-[2-[4-[5-chloro-3-(4-fluorophenyl)indol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
1-[2-[4-[5-chloro-3-(4-fluorophenyl)indol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one has a molecular weight of 440.95 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[5-chloro-3-(4-fluorophenyl)indol-1-yl]piperidin-1-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 10003405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).