1-[2-[2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]ethyl-methylamino]ethyl]imidazolidin-2-one

C22H24ClFN4O — CID 10645487

IUPAC1-[2-[2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]ethyl-methylamino]ethyl]imidazolidin-2-one
SMILESCN(CCc1cn(-c2ccc(F)cc2)c2cc(Cl)ccc12)CCN1CCNC1=O
InChIInChI=1S/C22H24ClFN4O/c1-26(12-13-27-11-9-25-22(27)29)10-8-16-15-28(19-5-3-18(24)4-6-19)21-14-17(23)2-7-20(16)21/h2-7,14-15H,8-13H2,1H3,(H,25,29)
InChIKeyYXKQXQPNOITGIQ-UHFFFAOYSA-N
MW414.91 g/mol
LogP3.92
Rot. Bonds7

About 1-[2-[2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]ethyl-methylamino]ethyl]imidazolidin-2-one

1-[2-[2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]ethyl-methylamino]ethyl]imidazolidin-2-one (PubChem CID 10645487) has the molecular formula C22H24ClFN4O and a molecular weight of 414.91 g/mol. Its IUPAC name is 1-[2-[2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]ethyl-methylamino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]ethyl-methylamino]ethyl]imidazolidin-2-one
PubChem CID10645487
Molecular FormulaC22H24ClFN4O
Molecular Weight414.91 g/mol
Exact Mass414.16
IUPAC Name1-[2-[2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]ethyl-methylamino]ethyl]imidazolidin-2-one
SMILESCN(CCc1cn(-c2ccc(F)cc2)c2cc(Cl)ccc12)CCN1CCNC1=O
InChIInChI=1S/C22H24ClFN4O/c1-26(12-13-27-11-9-25-22(27)29)10-8-16-15-28(19-5-3-18(24)4-6-19)21-14-17(23)2-7-20(16)21/h2-7,14-15H,8-13H2,1H3,(H,25,29)
InChIKeyYXKQXQPNOITGIQ-UHFFFAOYSA-N
XLogP3.92
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.91
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]ethyl-methylamino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]ethyl-methylamino]ethyl]imidazolidin-2-one (CID 10645487) is 1-[2-[2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]ethyl-methylamino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]ethyl-methylamino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]ethyl-methylamino]ethyl]imidazolidin-2-one is CN(CCc1cn(-c2ccc(F)cc2)c2cc(Cl)ccc12)CCN1CCNC1=O.
What is the InChIKey of 1-[2-[2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]ethyl-methylamino]ethyl]imidazolidin-2-one?
The InChIKey is YXKQXQPNOITGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN4O/c1-26(12-13-27-11-9-25-22(27)29)10-8-16-15-28(19-5-3-18(24)4-6-19)21-14-17(23)2-7-20(16)21/h2-7,14-15H,8-13H2,1H3,(H,25,29).
What are the key properties of 1-[2-[2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]ethyl-methylamino]ethyl]imidazolidin-2-one?
1-[2-[2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]ethyl-methylamino]ethyl]imidazolidin-2-one has a molecular weight of 414.91 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]ethyl-methylamino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 10645487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).