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

C25H30ClFN4O2 — CID 10528455

IUPAC1-[2-[2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-methylamino]ethyl]-3-propan-2-ylimidazolidin-2-one
SMILESCC(C)N1CCN(CCN(C)CCOc2cn(-c3ccc(F)cc3)c3cc(Cl)ccc23)C1=O
InChIInChI=1S/C25H30ClFN4O2/c1-18(2)30-13-12-29(25(30)32)11-10-28(3)14-15-33-24-17-31(21-7-5-20(27)6-8-21)23-16-19(26)4-9-22(23)24/h4-9,16-18H,10-15H2,1-3H3
InChIKeyAAJVCKWMBZMPTO-UHFFFAOYSA-N
MW472.99 g/mol
LogP4.88
Rot. Bonds9

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

1-[2-[2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-methylamino]ethyl]-3-propan-2-ylimidazolidin-2-one (PubChem CID 10528455) has the molecular formula C25H30ClFN4O2 and a molecular weight of 472.99 g/mol. Its IUPAC name is 1-[2-[2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-methylamino]ethyl]-3-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-methylamino]ethyl]-3-propan-2-ylimidazolidin-2-one
PubChem CID10528455
Molecular FormulaC25H30ClFN4O2
Molecular Weight472.99 g/mol
Exact Mass472.20
IUPAC Name1-[2-[2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-methylamino]ethyl]-3-propan-2-ylimidazolidin-2-one
SMILESCC(C)N1CCN(CCN(C)CCOc2cn(-c3ccc(F)cc3)c3cc(Cl)ccc23)C1=O
InChIInChI=1S/C25H30ClFN4O2/c1-18(2)30-13-12-29(25(30)32)11-10-28(3)14-15-33-24-17-31(21-7-5-20(27)6-8-21)23-16-19(26)4-9-22(23)24/h4-9,16-18H,10-15H2,1-3H3
InChIKeyAAJVCKWMBZMPTO-UHFFFAOYSA-N
XLogP4.88
TPSA40.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.99
LogP ≤ 54.88
H-Bond Donors ≤ 50
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]-3-propan-2-ylimidazolidin-2-one?
The IUPAC name of 1-[2-[2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-methylamino]ethyl]-3-propan-2-ylimidazolidin-2-one (CID 10528455) is 1-[2-[2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-methylamino]ethyl]-3-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 1-[2-[2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-methylamino]ethyl]-3-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 1-[2-[2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-methylamino]ethyl]-3-propan-2-ylimidazolidin-2-one is CC(C)N1CCN(CCN(C)CCOc2cn(-c3ccc(F)cc3)c3cc(Cl)ccc23)C1=O.
What is the InChIKey of 1-[2-[2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-methylamino]ethyl]-3-propan-2-ylimidazolidin-2-one?
The InChIKey is AAJVCKWMBZMPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClFN4O2/c1-18(2)30-13-12-29(25(30)32)11-10-28(3)14-15-33-24-17-31(21-7-5-20(27)6-8-21)23-16-19(26)4-9-22(23)24/h4-9,16-18H,10-15H2,1-3H3.
What are the key properties of 1-[2-[2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-methylamino]ethyl]-3-propan-2-ylimidazolidin-2-one?
1-[2-[2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-methylamino]ethyl]-3-propan-2-ylimidazolidin-2-one has a molecular weight of 472.99 g/mol, XLogP of 4.88, 9 rotatable bonds, 0 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]-3-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 10528455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).