1-(4-fluorophenyl)-3-[2-[4-[2-(4-methylsulfanylphenoxy)ethyl]piperidin-1-yl]ethyl]imidazolidin-2-one

C25H32FN3O2S — CID 22390793

IUPAC1-(4-fluorophenyl)-3-[2-[4-[2-(4-methylsulfanylphenoxy)ethyl]piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESCSc1ccc(OCCC2CCN(CCN3CCN(c4ccc(F)cc4)C3=O)CC2)cc1
InChIInChI=1S/C25H32FN3O2S/c1-32-24-8-6-23(7-9-24)31-19-12-20-10-13-27(14-11-20)15-16-28-17-18-29(25(28)30)22-4-2-21(26)3-5-22/h2-9,20H,10-19H2,1H3
InChIKeyHDFQDKUBGMXMIL-UHFFFAOYSA-N
MW457.62 g/mol
LogP4.97
Rot. Bonds9

About 1-(4-fluorophenyl)-3-[2-[4-[2-(4-methylsulfanylphenoxy)ethyl]piperidin-1-yl]ethyl]imidazolidin-2-one

1-(4-fluorophenyl)-3-[2-[4-[2-(4-methylsulfanylphenoxy)ethyl]piperidin-1-yl]ethyl]imidazolidin-2-one (PubChem CID 22390793) has the molecular formula C25H32FN3O2S and a molecular weight of 457.62 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[2-[4-[2-(4-methylsulfanylphenoxy)ethyl]piperidin-1-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[2-[4-[2-(4-methylsulfanylphenoxy)ethyl]piperidin-1-yl]ethyl]imidazolidin-2-one
PubChem CID22390793
Molecular FormulaC25H32FN3O2S
Molecular Weight457.62 g/mol
Exact Mass457.22
IUPAC Name1-(4-fluorophenyl)-3-[2-[4-[2-(4-methylsulfanylphenoxy)ethyl]piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESCSc1ccc(OCCC2CCN(CCN3CCN(c4ccc(F)cc4)C3=O)CC2)cc1
InChIInChI=1S/C25H32FN3O2S/c1-32-24-8-6-23(7-9-24)31-19-12-20-10-13-27(14-11-20)15-16-28-17-18-29(25(28)30)22-4-2-21(26)3-5-22/h2-9,20H,10-19H2,1H3
InChIKeyHDFQDKUBGMXMIL-UHFFFAOYSA-N
XLogP4.97
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.62
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[2-[4-[2-(4-methylsulfanylphenoxy)ethyl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-3-[2-[4-[2-(4-methylsulfanylphenoxy)ethyl]piperidin-1-yl]ethyl]imidazolidin-2-one (CID 22390793) is 1-(4-fluorophenyl)-3-[2-[4-[2-(4-methylsulfanylphenoxy)ethyl]piperidin-1-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[2-[4-[2-(4-methylsulfanylphenoxy)ethyl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-[2-[4-[2-(4-methylsulfanylphenoxy)ethyl]piperidin-1-yl]ethyl]imidazolidin-2-one is CSc1ccc(OCCC2CCN(CCN3CCN(c4ccc(F)cc4)C3=O)CC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[2-[4-[2-(4-methylsulfanylphenoxy)ethyl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The InChIKey is HDFQDKUBGMXMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN3O2S/c1-32-24-8-6-23(7-9-24)31-19-12-20-10-13-27(14-11-20)15-16-28-17-18-29(25(28)30)22-4-2-21(26)3-5-22/h2-9,20H,10-19H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-[2-[4-[2-(4-methylsulfanylphenoxy)ethyl]piperidin-1-yl]ethyl]imidazolidin-2-one?
1-(4-fluorophenyl)-3-[2-[4-[2-(4-methylsulfanylphenoxy)ethyl]piperidin-1-yl]ethyl]imidazolidin-2-one has a molecular weight of 457.62 g/mol, XLogP of 4.97, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[2-[4-[2-(4-methylsulfanylphenoxy)ethyl]piperidin-1-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 22390793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).