1-[4-[3-(hydroxymethyl)phenyl]-3,5-dimethylphenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one

C25H26N2O4S — CID 141378032

IUPAC1-[4-[3-(hydroxymethyl)phenyl]-3,5-dimethylphenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one
SMILESCc1cc(N2CCN(c3ccc(S(C)(=O)=O)cc3)C2=O)cc(C)c1-c1cccc(CO)c1
InChIInChI=1S/C25H26N2O4S/c1-17-13-22(14-18(2)24(17)20-6-4-5-19(15-20)16-28)27-12-11-26(25(27)29)21-7-9-23(10-8-21)32(3,30)31/h4-10,13-15,28H,11-12,16H2,1-3H3
InChIKeyMVSVZPJXPBOKEM-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.31
Rot. Bonds5

About 1-[4-[3-(hydroxymethyl)phenyl]-3,5-dimethylphenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one

1-[4-[3-(hydroxymethyl)phenyl]-3,5-dimethylphenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one (PubChem CID 141378032) has the molecular formula C25H26N2O4S and a molecular weight of 450.56 g/mol. Its IUPAC name is 1-[4-[3-(hydroxymethyl)phenyl]-3,5-dimethylphenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-[3-(hydroxymethyl)phenyl]-3,5-dimethylphenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one
PubChem CID141378032
Molecular FormulaC25H26N2O4S
Molecular Weight450.56 g/mol
Exact Mass450.16
IUPAC Name1-[4-[3-(hydroxymethyl)phenyl]-3,5-dimethylphenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one
SMILESCc1cc(N2CCN(c3ccc(S(C)(=O)=O)cc3)C2=O)cc(C)c1-c1cccc(CO)c1
InChIInChI=1S/C25H26N2O4S/c1-17-13-22(14-18(2)24(17)20-6-4-5-19(15-20)16-28)27-12-11-26(25(27)29)21-7-9-23(10-8-21)32(3,30)31/h4-10,13-15,28H,11-12,16H2,1-3H3
InChIKeyMVSVZPJXPBOKEM-UHFFFAOYSA-N
XLogP4.31
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(hydroxymethyl)phenyl]-3,5-dimethylphenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one?
The IUPAC name of 1-[4-[3-(hydroxymethyl)phenyl]-3,5-dimethylphenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one (CID 141378032) is 1-[4-[3-(hydroxymethyl)phenyl]-3,5-dimethylphenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one.
What is the SMILES notation for 1-[4-[3-(hydroxymethyl)phenyl]-3,5-dimethylphenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one?
The canonical SMILES for 1-[4-[3-(hydroxymethyl)phenyl]-3,5-dimethylphenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one is Cc1cc(N2CCN(c3ccc(S(C)(=O)=O)cc3)C2=O)cc(C)c1-c1cccc(CO)c1.
What is the InChIKey of 1-[4-[3-(hydroxymethyl)phenyl]-3,5-dimethylphenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one?
The InChIKey is MVSVZPJXPBOKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4S/c1-17-13-22(14-18(2)24(17)20-6-4-5-19(15-20)16-28)27-12-11-26(25(27)29)21-7-9-23(10-8-21)32(3,30)31/h4-10,13-15,28H,11-12,16H2,1-3H3.
What are the key properties of 1-[4-[3-(hydroxymethyl)phenyl]-3,5-dimethylphenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one?
1-[4-[3-(hydroxymethyl)phenyl]-3,5-dimethylphenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one has a molecular weight of 450.56 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(hydroxymethyl)phenyl]-3,5-dimethylphenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one is sourced from PubChem (CID 141378032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).