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

C24H30FN3O2S — CID 22390775

IUPAC1-(4-fluorophenyl)-3-[2-[4-[(4-methylsulfanylphenoxy)methyl]piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESCSc1ccc(OCC2CCN(CCN3CCN(c4ccc(F)cc4)C3=O)CC2)cc1
InChIInChI=1S/C24H30FN3O2S/c1-31-23-8-6-22(7-9-23)30-18-19-10-12-26(13-11-19)14-15-27-16-17-28(24(27)29)21-4-2-20(25)3-5-21/h2-9,19H,10-18H2,1H3
InChIKeyFYAQEHAZHDXFIB-UHFFFAOYSA-N
MW443.59 g/mol
LogP4.58
Rot. Bonds8

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

1-(4-fluorophenyl)-3-[2-[4-[(4-methylsulfanylphenoxy)methyl]piperidin-1-yl]ethyl]imidazolidin-2-one (PubChem CID 22390775) has the molecular formula C24H30FN3O2S and a molecular weight of 443.59 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[2-[4-[(4-methylsulfanylphenoxy)methyl]piperidin-1-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[2-[4-[(4-methylsulfanylphenoxy)methyl]piperidin-1-yl]ethyl]imidazolidin-2-one
PubChem CID22390775
Molecular FormulaC24H30FN3O2S
Molecular Weight443.59 g/mol
Exact Mass443.20
IUPAC Name1-(4-fluorophenyl)-3-[2-[4-[(4-methylsulfanylphenoxy)methyl]piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESCSc1ccc(OCC2CCN(CCN3CCN(c4ccc(F)cc4)C3=O)CC2)cc1
InChIInChI=1S/C24H30FN3O2S/c1-31-23-8-6-22(7-9-23)30-18-19-10-12-26(13-11-19)14-15-27-16-17-28(24(27)29)21-4-2-20(25)3-5-21/h2-9,19H,10-18H2,1H3
InChIKeyFYAQEHAZHDXFIB-UHFFFAOYSA-N
XLogP4.58
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 54.58
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-[(4-methylsulfanylphenoxy)methyl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-3-[2-[4-[(4-methylsulfanylphenoxy)methyl]piperidin-1-yl]ethyl]imidazolidin-2-one (CID 22390775) is 1-(4-fluorophenyl)-3-[2-[4-[(4-methylsulfanylphenoxy)methyl]piperidin-1-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[2-[4-[(4-methylsulfanylphenoxy)methyl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-[2-[4-[(4-methylsulfanylphenoxy)methyl]piperidin-1-yl]ethyl]imidazolidin-2-one is CSc1ccc(OCC2CCN(CCN3CCN(c4ccc(F)cc4)C3=O)CC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[2-[4-[(4-methylsulfanylphenoxy)methyl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The InChIKey is FYAQEHAZHDXFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O2S/c1-31-23-8-6-22(7-9-23)30-18-19-10-12-26(13-11-19)14-15-27-16-17-28(24(27)29)21-4-2-20(25)3-5-21/h2-9,19H,10-18H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-[2-[4-[(4-methylsulfanylphenoxy)methyl]piperidin-1-yl]ethyl]imidazolidin-2-one?
1-(4-fluorophenyl)-3-[2-[4-[(4-methylsulfanylphenoxy)methyl]piperidin-1-yl]ethyl]imidazolidin-2-one has a molecular weight of 443.59 g/mol, XLogP of 4.58, 8 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-[(4-methylsulfanylphenoxy)methyl]piperidin-1-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 22390775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).