3-(4-methoxyphenyl)-1-methyl-4-(4-methylsulfonylphenyl)imidazol-2-one

C18H18N2O4S — CID 139782244

IUPAC3-(4-methoxyphenyl)-1-methyl-4-(4-methylsulfonylphenyl)imidazol-2-one
SMILESCOc1ccc(-n2c(-c3ccc(S(C)(=O)=O)cc3)cn(C)c2=O)cc1
InChIInChI=1S/C18H18N2O4S/c1-19-12-17(13-4-10-16(11-5-13)25(3,22)23)20(18(19)21)14-6-8-15(24-2)9-7-14/h4-12H,1-3H3
InChIKeyGDHXIWRHGRZZHU-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.26
Rot. Bonds4

About 3-(4-methoxyphenyl)-1-methyl-4-(4-methylsulfonylphenyl)imidazol-2-one

3-(4-methoxyphenyl)-1-methyl-4-(4-methylsulfonylphenyl)imidazol-2-one (PubChem CID 139782244) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-methyl-4-(4-methylsulfonylphenyl)imidazol-2-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-methyl-4-(4-methylsulfonylphenyl)imidazol-2-one
PubChem CID139782244
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name3-(4-methoxyphenyl)-1-methyl-4-(4-methylsulfonylphenyl)imidazol-2-one
SMILESCOc1ccc(-n2c(-c3ccc(S(C)(=O)=O)cc3)cn(C)c2=O)cc1
InChIInChI=1S/C18H18N2O4S/c1-19-12-17(13-4-10-16(11-5-13)25(3,22)23)20(18(19)21)14-6-8-15(24-2)9-7-14/h4-12H,1-3H3
InChIKeyGDHXIWRHGRZZHU-UHFFFAOYSA-N
XLogP2.26
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-methyl-4-(4-methylsulfonylphenyl)imidazol-2-one?
The IUPAC name of 3-(4-methoxyphenyl)-1-methyl-4-(4-methylsulfonylphenyl)imidazol-2-one (CID 139782244) is 3-(4-methoxyphenyl)-1-methyl-4-(4-methylsulfonylphenyl)imidazol-2-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-methyl-4-(4-methylsulfonylphenyl)imidazol-2-one?
The canonical SMILES for 3-(4-methoxyphenyl)-1-methyl-4-(4-methylsulfonylphenyl)imidazol-2-one is COc1ccc(-n2c(-c3ccc(S(C)(=O)=O)cc3)cn(C)c2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-methyl-4-(4-methylsulfonylphenyl)imidazol-2-one?
The InChIKey is GDHXIWRHGRZZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-19-12-17(13-4-10-16(11-5-13)25(3,22)23)20(18(19)21)14-6-8-15(24-2)9-7-14/h4-12H,1-3H3.
What are the key properties of 3-(4-methoxyphenyl)-1-methyl-4-(4-methylsulfonylphenyl)imidazol-2-one?
3-(4-methoxyphenyl)-1-methyl-4-(4-methylsulfonylphenyl)imidazol-2-one has a molecular weight of 358.42 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-methyl-4-(4-methylsulfonylphenyl)imidazol-2-one is sourced from PubChem (CID 139782244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).