1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylimidazole

C16H22N2O3S — CID 1258236

IUPAC1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylimidazole
SMILESCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)n1cnc(C)c1
InChIInChI=1S/C16H22N2O3S/c1-6-21-15-7-12(4)14(11(2)3)8-16(15)22(19,20)18-9-13(5)17-10-18/h7-11H,6H2,1-5H3
InChIKeyCPMDTQGQCJITRA-UHFFFAOYSA-N
MW322.43 g/mol
LogP3.26
Rot. Bonds5

About 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylimidazole

1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylimidazole (PubChem CID 1258236) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylimidazole.

Molecular Properties

Compound Name1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylimidazole
PubChem CID1258236
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylimidazole
SMILESCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)n1cnc(C)c1
InChIInChI=1S/C16H22N2O3S/c1-6-21-15-7-12(4)14(11(2)3)8-16(15)22(19,20)18-9-13(5)17-10-18/h7-11H,6H2,1-5H3
InChIKeyCPMDTQGQCJITRA-UHFFFAOYSA-N
XLogP3.26
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylimidazole?
The IUPAC name of 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylimidazole (CID 1258236) is 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylimidazole.
What is the SMILES notation for 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylimidazole?
The canonical SMILES for 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylimidazole is CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)n1cnc(C)c1.
What is the InChIKey of 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylimidazole?
The InChIKey is CPMDTQGQCJITRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-6-21-15-7-12(4)14(11(2)3)8-16(15)22(19,20)18-9-13(5)17-10-18/h7-11H,6H2,1-5H3.
What are the key properties of 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylimidazole?
1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylimidazole has a molecular weight of 322.43 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylimidazole is sourced from PubChem (CID 1258236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).