4-ethyl-3-(4-methylphenyl)-5-[1-(4-methylphenyl)sulfonylethyl]-1H-imidazol-2-one

C21H24N2O3S — CID 2765982

IUPAC4-ethyl-3-(4-methylphenyl)-5-[1-(4-methylphenyl)sulfonylethyl]-1H-imidazol-2-one
SMILESCCc1c(C(C)S(=O)(=O)c2ccc(C)cc2)[nH]c(=O)n1-c1ccc(C)cc1
InChIInChI=1S/C21H24N2O3S/c1-5-19-20(16(4)27(25,26)18-12-8-15(3)9-13-18)22-21(24)23(19)17-10-6-14(2)7-11-17/h6-13,16H,5H2,1-4H3,(H,22,24)
InChIKeyBTIWLZJPEFNDTJ-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.88
Rot. Bonds5

About 4-ethyl-3-(4-methylphenyl)-5-[1-(4-methylphenyl)sulfonylethyl]-1H-imidazol-2-one

4-ethyl-3-(4-methylphenyl)-5-[1-(4-methylphenyl)sulfonylethyl]-1H-imidazol-2-one (PubChem CID 2765982) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is 4-ethyl-3-(4-methylphenyl)-5-[1-(4-methylphenyl)sulfonylethyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name4-ethyl-3-(4-methylphenyl)-5-[1-(4-methylphenyl)sulfonylethyl]-1H-imidazol-2-one
PubChem CID2765982
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name4-ethyl-3-(4-methylphenyl)-5-[1-(4-methylphenyl)sulfonylethyl]-1H-imidazol-2-one
SMILESCCc1c(C(C)S(=O)(=O)c2ccc(C)cc2)[nH]c(=O)n1-c1ccc(C)cc1
InChIInChI=1S/C21H24N2O3S/c1-5-19-20(16(4)27(25,26)18-12-8-15(3)9-13-18)22-21(24)23(19)17-10-6-14(2)7-11-17/h6-13,16H,5H2,1-4H3,(H,22,24)
InChIKeyBTIWLZJPEFNDTJ-UHFFFAOYSA-N
XLogP3.88
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(4-methylphenyl)-5-[1-(4-methylphenyl)sulfonylethyl]-1H-imidazol-2-one?
The IUPAC name of 4-ethyl-3-(4-methylphenyl)-5-[1-(4-methylphenyl)sulfonylethyl]-1H-imidazol-2-one (CID 2765982) is 4-ethyl-3-(4-methylphenyl)-5-[1-(4-methylphenyl)sulfonylethyl]-1H-imidazol-2-one.
What is the SMILES notation for 4-ethyl-3-(4-methylphenyl)-5-[1-(4-methylphenyl)sulfonylethyl]-1H-imidazol-2-one?
The canonical SMILES for 4-ethyl-3-(4-methylphenyl)-5-[1-(4-methylphenyl)sulfonylethyl]-1H-imidazol-2-one is CCc1c(C(C)S(=O)(=O)c2ccc(C)cc2)[nH]c(=O)n1-c1ccc(C)cc1.
What is the InChIKey of 4-ethyl-3-(4-methylphenyl)-5-[1-(4-methylphenyl)sulfonylethyl]-1H-imidazol-2-one?
The InChIKey is BTIWLZJPEFNDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-5-19-20(16(4)27(25,26)18-12-8-15(3)9-13-18)22-21(24)23(19)17-10-6-14(2)7-11-17/h6-13,16H,5H2,1-4H3,(H,22,24).
What are the key properties of 4-ethyl-3-(4-methylphenyl)-5-[1-(4-methylphenyl)sulfonylethyl]-1H-imidazol-2-one?
4-ethyl-3-(4-methylphenyl)-5-[1-(4-methylphenyl)sulfonylethyl]-1H-imidazol-2-one has a molecular weight of 384.50 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(4-methylphenyl)-5-[1-(4-methylphenyl)sulfonylethyl]-1H-imidazol-2-one is sourced from PubChem (CID 2765982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).