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

C23H26ClFN4O — CID 10788685

IUPAC1-[3-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]ethyl-methylamino]propyl]imidazolidin-2-one
SMILESCN(CCCN1CCNC1=O)CCc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C23H26ClFN4O/c1-27(11-2-12-28-14-10-26-23(28)30)13-9-17-16-29(20-6-4-19(25)5-7-20)22-8-3-18(24)15-21(17)22/h3-8,15-16H,2,9-14H2,1H3,(H,26,30)
InChIKeyMIOUTALXIGIGMP-UHFFFAOYSA-N
MW428.94 g/mol
LogP4.31
Rot. Bonds8

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

1-[3-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]ethyl-methylamino]propyl]imidazolidin-2-one (PubChem CID 10788685) has the molecular formula C23H26ClFN4O and a molecular weight of 428.94 g/mol. Its IUPAC name is 1-[3-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]ethyl-methylamino]propyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]ethyl-methylamino]propyl]imidazolidin-2-one
PubChem CID10788685
Molecular FormulaC23H26ClFN4O
Molecular Weight428.94 g/mol
Exact Mass428.18
IUPAC Name1-[3-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]ethyl-methylamino]propyl]imidazolidin-2-one
SMILESCN(CCCN1CCNC1=O)CCc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C23H26ClFN4O/c1-27(11-2-12-28-14-10-26-23(28)30)13-9-17-16-29(20-6-4-19(25)5-7-20)22-8-3-18(24)15-21(17)22/h3-8,15-16H,2,9-14H2,1H3,(H,26,30)
InChIKeyMIOUTALXIGIGMP-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]ethyl-methylamino]propyl]imidazolidin-2-one?
The IUPAC name of 1-[3-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]ethyl-methylamino]propyl]imidazolidin-2-one (CID 10788685) is 1-[3-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]ethyl-methylamino]propyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]ethyl-methylamino]propyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]ethyl-methylamino]propyl]imidazolidin-2-one is CN(CCCN1CCNC1=O)CCc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12.
What is the InChIKey of 1-[3-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]ethyl-methylamino]propyl]imidazolidin-2-one?
The InChIKey is MIOUTALXIGIGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFN4O/c1-27(11-2-12-28-14-10-26-23(28)30)13-9-17-16-29(20-6-4-19(25)5-7-20)22-8-3-18(24)15-21(17)22/h3-8,15-16H,2,9-14H2,1H3,(H,26,30).
What are the key properties of 1-[3-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]ethyl-methylamino]propyl]imidazolidin-2-one?
1-[3-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]ethyl-methylamino]propyl]imidazolidin-2-one has a molecular weight of 428.94 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]ethyl-methylamino]propyl]imidazolidin-2-one is sourced from PubChem (CID 10788685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).