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

C22H24ClFN4OS — CID 10647075

IUPAC1-[2-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]sulfanylethyl-methylamino]ethyl]imidazolidin-2-one
SMILESCN(CCSc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12)CCN1CCNC1=O
InChIInChI=1S/C22H24ClFN4OS/c1-26(10-11-27-9-8-25-22(27)29)12-13-30-21-15-28(18-5-3-17(24)4-6-18)20-7-2-16(23)14-19(20)21/h2-7,14-15H,8-13H2,1H3,(H,25,29)
InChIKeyGCRNKAUJTRHQHQ-UHFFFAOYSA-N
MW446.98 g/mol
LogP4.47
Rot. Bonds8

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

1-[2-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]sulfanylethyl-methylamino]ethyl]imidazolidin-2-one (PubChem CID 10647075) has the molecular formula C22H24ClFN4OS and a molecular weight of 446.98 g/mol. Its IUPAC name is 1-[2-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]sulfanylethyl-methylamino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]sulfanylethyl-methylamino]ethyl]imidazolidin-2-one
PubChem CID10647075
Molecular FormulaC22H24ClFN4OS
Molecular Weight446.98 g/mol
Exact Mass446.13
IUPAC Name1-[2-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]sulfanylethyl-methylamino]ethyl]imidazolidin-2-one
SMILESCN(CCSc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12)CCN1CCNC1=O
InChIInChI=1S/C22H24ClFN4OS/c1-26(10-11-27-9-8-25-22(27)29)12-13-30-21-15-28(18-5-3-17(24)4-6-18)20-7-2-16(23)14-19(20)21/h2-7,14-15H,8-13H2,1H3,(H,25,29)
InChIKeyGCRNKAUJTRHQHQ-UHFFFAOYSA-N
XLogP4.47
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.98
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]sulfanylethyl-methylamino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]sulfanylethyl-methylamino]ethyl]imidazolidin-2-one (CID 10647075) is 1-[2-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]sulfanylethyl-methylamino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]sulfanylethyl-methylamino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]sulfanylethyl-methylamino]ethyl]imidazolidin-2-one is CN(CCSc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12)CCN1CCNC1=O.
What is the InChIKey of 1-[2-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]sulfanylethyl-methylamino]ethyl]imidazolidin-2-one?
The InChIKey is GCRNKAUJTRHQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN4OS/c1-26(10-11-27-9-8-25-22(27)29)12-13-30-21-15-28(18-5-3-17(24)4-6-18)20-7-2-16(23)14-19(20)21/h2-7,14-15H,8-13H2,1H3,(H,25,29).
What are the key properties of 1-[2-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]sulfanylethyl-methylamino]ethyl]imidazolidin-2-one?
1-[2-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]sulfanylethyl-methylamino]ethyl]imidazolidin-2-one has a molecular weight of 446.98 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]sulfanylethyl-methylamino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 10647075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).