1-(4-chlorophenyl)-3-[2-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethyl]imidazolidin-2-one

C23H27ClFN3O2 — CID 22390790

IUPAC1-(4-chlorophenyl)-3-[2-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1N(CCN2CCC(COc3ccc(F)cc3)CC2)CCN1c1ccc(Cl)cc1
InChIInChI=1S/C23H27ClFN3O2/c24-19-1-5-21(6-2-19)28-16-15-27(23(28)29)14-13-26-11-9-18(10-12-26)17-30-22-7-3-20(25)4-8-22/h1-8,18H,9-17H2
InChIKeyHJAKZUHBUWAFNA-UHFFFAOYSA-N
MW431.94 g/mol
LogP4.51
Rot. Bonds7

About 1-(4-chlorophenyl)-3-[2-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethyl]imidazolidin-2-one

1-(4-chlorophenyl)-3-[2-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethyl]imidazolidin-2-one (PubChem CID 22390790) has the molecular formula C23H27ClFN3O2 and a molecular weight of 431.94 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethyl]imidazolidin-2-one
PubChem CID22390790
Molecular FormulaC23H27ClFN3O2
Molecular Weight431.94 g/mol
Exact Mass431.18
IUPAC Name1-(4-chlorophenyl)-3-[2-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1N(CCN2CCC(COc3ccc(F)cc3)CC2)CCN1c1ccc(Cl)cc1
InChIInChI=1S/C23H27ClFN3O2/c24-19-1-5-21(6-2-19)28-16-15-27(23(28)29)14-13-26-11-9-18(10-12-26)17-30-22-7-3-20(25)4-8-22/h1-8,18H,9-17H2
InChIKeyHJAKZUHBUWAFNA-UHFFFAOYSA-N
XLogP4.51
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.94
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethyl]imidazolidin-2-one (CID 22390790) is 1-(4-chlorophenyl)-3-[2-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethyl]imidazolidin-2-one is O=C1N(CCN2CCC(COc3ccc(F)cc3)CC2)CCN1c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The InChIKey is HJAKZUHBUWAFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClFN3O2/c24-19-1-5-21(6-2-19)28-16-15-27(23(28)29)14-13-26-11-9-18(10-12-26)17-30-22-7-3-20(25)4-8-22/h1-8,18H,9-17H2.
What are the key properties of 1-(4-chlorophenyl)-3-[2-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethyl]imidazolidin-2-one?
1-(4-chlorophenyl)-3-[2-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethyl]imidazolidin-2-one has a molecular weight of 431.94 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 22390790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).