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

C23H26ClFN4O — CID 10670233

IUPAC1-[4-[[5-chloro-1-(4-fluorophenyl)indol-3-yl]methyl-methylamino]butyl]imidazolidin-2-one
SMILESCN(CCCCN1CCNC1=O)Cc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C23H26ClFN4O/c1-27(11-2-3-12-28-13-10-26-23(28)30)15-17-16-29(20-7-5-19(25)6-8-20)22-9-4-18(24)14-21(17)22/h4-9,14,16H,2-3,10-13,15H2,1H3,(H,26,30)
InChIKeyOEVXEDITFCYJDW-UHFFFAOYSA-N
MW428.94 g/mol
LogP4.66
Rot. Bonds8

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

1-[4-[[5-chloro-1-(4-fluorophenyl)indol-3-yl]methyl-methylamino]butyl]imidazolidin-2-one (PubChem CID 10670233) has the molecular formula C23H26ClFN4O and a molecular weight of 428.94 g/mol. Its IUPAC name is 1-[4-[[5-chloro-1-(4-fluorophenyl)indol-3-yl]methyl-methylamino]butyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-[[5-chloro-1-(4-fluorophenyl)indol-3-yl]methyl-methylamino]butyl]imidazolidin-2-one
PubChem CID10670233
Molecular FormulaC23H26ClFN4O
Molecular Weight428.94 g/mol
Exact Mass428.18
IUPAC Name1-[4-[[5-chloro-1-(4-fluorophenyl)indol-3-yl]methyl-methylamino]butyl]imidazolidin-2-one
SMILESCN(CCCCN1CCNC1=O)Cc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C23H26ClFN4O/c1-27(11-2-3-12-28-13-10-26-23(28)30)15-17-16-29(20-7-5-19(25)6-8-20)22-9-4-18(24)14-21(17)22/h4-9,14,16H,2-3,10-13,15H2,1H3,(H,26,30)
InChIKeyOEVXEDITFCYJDW-UHFFFAOYSA-N
XLogP4.66
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.94
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[4-[[5-chloro-1-(4-fluorophenyl)indol-3-yl]methyl-methylamino]butyl]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-[4-[[5-chloro-1-(4-fluorophenyl)indol-3-yl]methyl-methylamino]butyl]imidazolidin-2-one?
The IUPAC name of 1-[4-[[5-chloro-1-(4-fluorophenyl)indol-3-yl]methyl-methylamino]butyl]imidazolidin-2-one (CID 10670233) is 1-[4-[[5-chloro-1-(4-fluorophenyl)indol-3-yl]methyl-methylamino]butyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-[[5-chloro-1-(4-fluorophenyl)indol-3-yl]methyl-methylamino]butyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-[[5-chloro-1-(4-fluorophenyl)indol-3-yl]methyl-methylamino]butyl]imidazolidin-2-one is CN(CCCCN1CCNC1=O)Cc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12.
What is the InChIKey of 1-[4-[[5-chloro-1-(4-fluorophenyl)indol-3-yl]methyl-methylamino]butyl]imidazolidin-2-one?
The InChIKey is OEVXEDITFCYJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFN4O/c1-27(11-2-3-12-28-13-10-26-23(28)30)15-17-16-29(20-7-5-19(25)6-8-20)22-9-4-18(24)14-21(17)22/h4-9,14,16H,2-3,10-13,15H2,1H3,(H,26,30).
What are the key properties of 1-[4-[[5-chloro-1-(4-fluorophenyl)indol-3-yl]methyl-methylamino]butyl]imidazolidin-2-one?
1-[4-[[5-chloro-1-(4-fluorophenyl)indol-3-yl]methyl-methylamino]butyl]imidazolidin-2-one has a molecular weight of 428.94 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5-chloro-1-(4-fluorophenyl)indol-3-yl]methyl-methylamino]butyl]imidazolidin-2-one is sourced from PubChem (CID 10670233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).