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

C23H26ClFN4O2 — CID 10503470

IUPAC1-[2-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-ethylamino]ethyl]imidazolidin-2-one
SMILESCCN(CCOc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12)CCN1CCNC1=O
InChIInChI=1S/C23H26ClFN4O2/c1-2-27(11-12-28-10-9-26-23(28)30)13-14-31-22-16-29(19-6-4-18(25)5-7-19)21-8-3-17(24)15-20(21)22/h3-8,15-16H,2,9-14H2,1H3,(H,26,30)
InChIKeyRXCYMHUQTXMXGO-UHFFFAOYSA-N
MW444.94 g/mol
LogP4.15
Rot. Bonds9

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

1-[2-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-ethylamino]ethyl]imidazolidin-2-one (PubChem CID 10503470) has the molecular formula C23H26ClFN4O2 and a molecular weight of 444.94 g/mol. Its IUPAC name is 1-[2-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-ethylamino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-ethylamino]ethyl]imidazolidin-2-one
PubChem CID10503470
Molecular FormulaC23H26ClFN4O2
Molecular Weight444.94 g/mol
Exact Mass444.17
IUPAC Name1-[2-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-ethylamino]ethyl]imidazolidin-2-one
SMILESCCN(CCOc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12)CCN1CCNC1=O
InChIInChI=1S/C23H26ClFN4O2/c1-2-27(11-12-28-10-9-26-23(28)30)13-14-31-22-16-29(19-6-4-18(25)5-7-19)21-8-3-17(24)15-20(21)22/h3-8,15-16H,2,9-14H2,1H3,(H,26,30)
InChIKeyRXCYMHUQTXMXGO-UHFFFAOYSA-N
XLogP4.15
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.94
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-ethylamino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-ethylamino]ethyl]imidazolidin-2-one (CID 10503470) is 1-[2-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-ethylamino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-ethylamino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-ethylamino]ethyl]imidazolidin-2-one is CCN(CCOc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12)CCN1CCNC1=O.
What is the InChIKey of 1-[2-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-ethylamino]ethyl]imidazolidin-2-one?
The InChIKey is RXCYMHUQTXMXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFN4O2/c1-2-27(11-12-28-10-9-26-23(28)30)13-14-31-22-16-29(19-6-4-18(25)5-7-19)21-8-3-17(24)15-20(21)22/h3-8,15-16H,2,9-14H2,1H3,(H,26,30).
What are the key properties of 1-[2-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-ethylamino]ethyl]imidazolidin-2-one?
1-[2-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-ethylamino]ethyl]imidazolidin-2-one has a molecular weight of 444.94 g/mol, XLogP of 4.15, 9 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]oxyethyl-ethylamino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 10503470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).