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

C22H24ClFN4O2 — CID 10550615

IUPAC1-[2-[2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-methylamino]ethyl]imidazolidin-2-one
SMILESCN(CCOc1cn(-c2ccc(F)cc2)c2cc(Cl)ccc12)CCN1CCNC1=O
InChIInChI=1S/C22H24ClFN4O2/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)20-14-16(23)2-7-19(20)21/h2-7,14-15H,8-13H2,1H3,(H,25,29)
InChIKeyDWVWCCIVOJGTTI-UHFFFAOYSA-N
MW430.91 g/mol
LogP3.76
Rot. Bonds8

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

1-[2-[2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-methylamino]ethyl]imidazolidin-2-one (PubChem CID 10550615) has the molecular formula C22H24ClFN4O2 and a molecular weight of 430.91 g/mol. Its IUPAC name is 1-[2-[2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-methylamino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-methylamino]ethyl]imidazolidin-2-one
PubChem CID10550615
Molecular FormulaC22H24ClFN4O2
Molecular Weight430.91 g/mol
Exact Mass430.16
IUPAC Name1-[2-[2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-methylamino]ethyl]imidazolidin-2-one
SMILESCN(CCOc1cn(-c2ccc(F)cc2)c2cc(Cl)ccc12)CCN1CCNC1=O
InChIInChI=1S/C22H24ClFN4O2/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)20-14-16(23)2-7-19(20)21/h2-7,14-15H,8-13H2,1H3,(H,25,29)
InChIKeyDWVWCCIVOJGTTI-UHFFFAOYSA-N
XLogP3.76
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.91
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-methylamino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-methylamino]ethyl]imidazolidin-2-one (CID 10550615) is 1-[2-[2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-methylamino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-methylamino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-methylamino]ethyl]imidazolidin-2-one is CN(CCOc1cn(-c2ccc(F)cc2)c2cc(Cl)ccc12)CCN1CCNC1=O.
What is the InChIKey of 1-[2-[2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-methylamino]ethyl]imidazolidin-2-one?
The InChIKey is DWVWCCIVOJGTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN4O2/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)20-14-16(23)2-7-19(20)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]oxyethyl-methylamino]ethyl]imidazolidin-2-one?
1-[2-[2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-methylamino]ethyl]imidazolidin-2-one has a molecular weight of 430.91 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-methylamino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 10550615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).