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

C21H22ClFN4O — CID 10834872

IUPAC1-[2-[[5-chloro-1-(4-fluorophenyl)indol-3-yl]methyl-methylamino]ethyl]imidazolidin-2-one
SMILESCN(CCN1CCNC1=O)Cc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C21H22ClFN4O/c1-25(10-11-26-9-8-24-21(26)28)13-15-14-27(18-5-3-17(23)4-6-18)20-7-2-16(22)12-19(15)20/h2-7,12,14H,8-11,13H2,1H3,(H,24,28)
InChIKeyFGAZQFHCZPVRQP-UHFFFAOYSA-N
MW400.89 g/mol
LogP3.88
Rot. Bonds6

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

1-[2-[[5-chloro-1-(4-fluorophenyl)indol-3-yl]methyl-methylamino]ethyl]imidazolidin-2-one (PubChem CID 10834872) has the molecular formula C21H22ClFN4O and a molecular weight of 400.89 g/mol. Its IUPAC name is 1-[2-[[5-chloro-1-(4-fluorophenyl)indol-3-yl]methyl-methylamino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[5-chloro-1-(4-fluorophenyl)indol-3-yl]methyl-methylamino]ethyl]imidazolidin-2-one
PubChem CID10834872
Molecular FormulaC21H22ClFN4O
Molecular Weight400.89 g/mol
Exact Mass400.15
IUPAC Name1-[2-[[5-chloro-1-(4-fluorophenyl)indol-3-yl]methyl-methylamino]ethyl]imidazolidin-2-one
SMILESCN(CCN1CCNC1=O)Cc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C21H22ClFN4O/c1-25(10-11-26-9-8-24-21(26)28)13-15-14-27(18-5-3-17(23)4-6-18)20-7-2-16(22)12-19(15)20/h2-7,12,14H,8-11,13H2,1H3,(H,24,28)
InChIKeyFGAZQFHCZPVRQP-UHFFFAOYSA-N
XLogP3.88
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-[[5-chloro-1-(4-fluorophenyl)indol-3-yl]methyl-methylamino]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
Tepirindole
CID 68915
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-[[5-chloro-1-(4-fluorophenyl)indol-3-yl]methyl-methylamino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[[5-chloro-1-(4-fluorophenyl)indol-3-yl]methyl-methylamino]ethyl]imidazolidin-2-one (CID 10834872) is 1-[2-[[5-chloro-1-(4-fluorophenyl)indol-3-yl]methyl-methylamino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[[5-chloro-1-(4-fluorophenyl)indol-3-yl]methyl-methylamino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[[5-chloro-1-(4-fluorophenyl)indol-3-yl]methyl-methylamino]ethyl]imidazolidin-2-one is CN(CCN1CCNC1=O)Cc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12.
What is the InChIKey of 1-[2-[[5-chloro-1-(4-fluorophenyl)indol-3-yl]methyl-methylamino]ethyl]imidazolidin-2-one?
The InChIKey is FGAZQFHCZPVRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN4O/c1-25(10-11-26-9-8-24-21(26)28)13-15-14-27(18-5-3-17(23)4-6-18)20-7-2-16(22)12-19(15)20/h2-7,12,14H,8-11,13H2,1H3,(H,24,28).
What are the key properties of 1-[2-[[5-chloro-1-(4-fluorophenyl)indol-3-yl]methyl-methylamino]ethyl]imidazolidin-2-one?
1-[2-[[5-chloro-1-(4-fluorophenyl)indol-3-yl]methyl-methylamino]ethyl]imidazolidin-2-one has a molecular weight of 400.89 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-chloro-1-(4-fluorophenyl)indol-3-yl]methyl-methylamino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 10834872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).