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

C15H20N2O3S — CID 801592

IUPAC1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylimidazole
SMILESCOc1cc(C)c(C(C)C)cc1S(=O)(=O)n1cnc(C)c1
InChIInChI=1S/C15H20N2O3S/c1-10(2)13-7-15(14(20-5)6-11(13)3)21(18,19)17-8-12(4)16-9-17/h6-10H,1-5H3
InChIKeyJPQGNDCQMPXOGF-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.87
Rot. Bonds4

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

1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylimidazole (PubChem CID 801592) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylimidazole.

Molecular Properties

Compound Name1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylimidazole
PubChem CID801592
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylimidazole
SMILESCOc1cc(C)c(C(C)C)cc1S(=O)(=O)n1cnc(C)c1
InChIInChI=1S/C15H20N2O3S/c1-10(2)13-7-15(14(20-5)6-11(13)3)21(18,19)17-8-12(4)16-9-17/h6-10H,1-5H3
InChIKeyJPQGNDCQMPXOGF-UHFFFAOYSA-N
XLogP2.87
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylimidazole?
The IUPAC name of 1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylimidazole (CID 801592) is 1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylimidazole.
What is the SMILES notation for 1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylimidazole?
The canonical SMILES for 1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylimidazole is COc1cc(C)c(C(C)C)cc1S(=O)(=O)n1cnc(C)c1.
What is the InChIKey of 1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylimidazole?
The InChIKey is JPQGNDCQMPXOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-10(2)13-7-15(14(20-5)6-11(13)3)21(18,19)17-8-12(4)16-9-17/h6-10H,1-5H3.
What are the key properties of 1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylimidazole?
1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylimidazole has a molecular weight of 308.40 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4-methylimidazole is sourced from PubChem (CID 801592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).