3-(4-chlorophenyl)-4-[3-(4-methoxyphenoxy)phenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one

C25H25ClN2O5S — CID 59485762

IUPAC3-(4-chlorophenyl)-4-[3-(4-methoxyphenoxy)phenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one
SMILESCOc1ccc(Oc2cccc(C3CN(CCS(C)(=O)=O)C(=O)N3c3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C25H25ClN2O5S/c1-32-21-10-12-22(13-11-21)33-23-5-3-4-18(16-23)24-17-27(14-15-34(2,30)31)25(29)28(24)20-8-6-19(26)7-9-20/h3-13,16,24H,14-15,17H2,1-2H3
InChIKeyMGAIBNFMQDFMRA-UHFFFAOYSA-N
MW501.00 g/mol
LogP5.17
Rot. Bonds8

About 3-(4-chlorophenyl)-4-[3-(4-methoxyphenoxy)phenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one

3-(4-chlorophenyl)-4-[3-(4-methoxyphenoxy)phenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one (PubChem CID 59485762) has the molecular formula C25H25ClN2O5S and a molecular weight of 501.00 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-[3-(4-methoxyphenoxy)phenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-[3-(4-methoxyphenoxy)phenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one
PubChem CID59485762
Molecular FormulaC25H25ClN2O5S
Molecular Weight501.00 g/mol
Exact Mass500.12
IUPAC Name3-(4-chlorophenyl)-4-[3-(4-methoxyphenoxy)phenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one
SMILESCOc1ccc(Oc2cccc(C3CN(CCS(C)(=O)=O)C(=O)N3c3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C25H25ClN2O5S/c1-32-21-10-12-22(13-11-21)33-23-5-3-4-18(16-23)24-17-27(14-15-34(2,30)31)25(29)28(24)20-8-6-19(26)7-9-20/h3-13,16,24H,14-15,17H2,1-2H3
InChIKeyMGAIBNFMQDFMRA-UHFFFAOYSA-N
XLogP5.17
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.00
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-[3-(4-methoxyphenoxy)phenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one?
The IUPAC name of 3-(4-chlorophenyl)-4-[3-(4-methoxyphenoxy)phenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one (CID 59485762) is 3-(4-chlorophenyl)-4-[3-(4-methoxyphenoxy)phenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)-4-[3-(4-methoxyphenoxy)phenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one?
The canonical SMILES for 3-(4-chlorophenyl)-4-[3-(4-methoxyphenoxy)phenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one is COc1ccc(Oc2cccc(C3CN(CCS(C)(=O)=O)C(=O)N3c3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-[3-(4-methoxyphenoxy)phenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one?
The InChIKey is MGAIBNFMQDFMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O5S/c1-32-21-10-12-22(13-11-21)33-23-5-3-4-18(16-23)24-17-27(14-15-34(2,30)31)25(29)28(24)20-8-6-19(26)7-9-20/h3-13,16,24H,14-15,17H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-4-[3-(4-methoxyphenoxy)phenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one?
3-(4-chlorophenyl)-4-[3-(4-methoxyphenoxy)phenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one has a molecular weight of 501.00 g/mol, XLogP of 5.17, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-[3-(4-methoxyphenoxy)phenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one is sourced from PubChem (CID 59485762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).