3-(4-chlorophenyl)-1-(2-methylsulfonylethyl)-4-(3-pyridin-3-yloxyphenyl)imidazolidin-2-one

C23H22ClN3O4S — CID 59485588

IUPAC3-(4-chlorophenyl)-1-(2-methylsulfonylethyl)-4-(3-pyridin-3-yloxyphenyl)imidazolidin-2-one
SMILESCS(=O)(=O)CCN1CC(c2cccc(Oc3cccnc3)c2)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C23H22ClN3O4S/c1-32(29,30)13-12-26-16-22(27(23(26)28)19-9-7-18(24)8-10-19)17-4-2-5-20(14-17)31-21-6-3-11-25-15-21/h2-11,14-15,22H,12-13,16H2,1H3
InChIKeyMFOQUWLNKNCLJE-UHFFFAOYSA-N
MW471.97 g/mol
LogP4.56
Rot. Bonds7

About 3-(4-chlorophenyl)-1-(2-methylsulfonylethyl)-4-(3-pyridin-3-yloxyphenyl)imidazolidin-2-one

3-(4-chlorophenyl)-1-(2-methylsulfonylethyl)-4-(3-pyridin-3-yloxyphenyl)imidazolidin-2-one (PubChem CID 59485588) has the molecular formula C23H22ClN3O4S and a molecular weight of 471.97 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(2-methylsulfonylethyl)-4-(3-pyridin-3-yloxyphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(2-methylsulfonylethyl)-4-(3-pyridin-3-yloxyphenyl)imidazolidin-2-one
PubChem CID59485588
Molecular FormulaC23H22ClN3O4S
Molecular Weight471.97 g/mol
Exact Mass471.10
IUPAC Name3-(4-chlorophenyl)-1-(2-methylsulfonylethyl)-4-(3-pyridin-3-yloxyphenyl)imidazolidin-2-one
SMILESCS(=O)(=O)CCN1CC(c2cccc(Oc3cccnc3)c2)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C23H22ClN3O4S/c1-32(29,30)13-12-26-16-22(27(23(26)28)19-9-7-18(24)8-10-19)17-4-2-5-20(14-17)31-21-6-3-11-25-15-21/h2-11,14-15,22H,12-13,16H2,1H3
InChIKeyMFOQUWLNKNCLJE-UHFFFAOYSA-N
XLogP4.56
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.97
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(2-methylsulfonylethyl)-4-(3-pyridin-3-yloxyphenyl)imidazolidin-2-one?
The IUPAC name of 3-(4-chlorophenyl)-1-(2-methylsulfonylethyl)-4-(3-pyridin-3-yloxyphenyl)imidazolidin-2-one (CID 59485588) is 3-(4-chlorophenyl)-1-(2-methylsulfonylethyl)-4-(3-pyridin-3-yloxyphenyl)imidazolidin-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(2-methylsulfonylethyl)-4-(3-pyridin-3-yloxyphenyl)imidazolidin-2-one?
The canonical SMILES for 3-(4-chlorophenyl)-1-(2-methylsulfonylethyl)-4-(3-pyridin-3-yloxyphenyl)imidazolidin-2-one is CS(=O)(=O)CCN1CC(c2cccc(Oc3cccnc3)c2)N(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 3-(4-chlorophenyl)-1-(2-methylsulfonylethyl)-4-(3-pyridin-3-yloxyphenyl)imidazolidin-2-one?
The InChIKey is MFOQUWLNKNCLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O4S/c1-32(29,30)13-12-26-16-22(27(23(26)28)19-9-7-18(24)8-10-19)17-4-2-5-20(14-17)31-21-6-3-11-25-15-21/h2-11,14-15,22H,12-13,16H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-1-(2-methylsulfonylethyl)-4-(3-pyridin-3-yloxyphenyl)imidazolidin-2-one?
3-(4-chlorophenyl)-1-(2-methylsulfonylethyl)-4-(3-pyridin-3-yloxyphenyl)imidazolidin-2-one has a molecular weight of 471.97 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(2-methylsulfonylethyl)-4-(3-pyridin-3-yloxyphenyl)imidazolidin-2-one is sourced from PubChem (CID 59485588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).