1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-4-methyl-2-phenylimidazole

C19H20N2O3S — CID 2983776

IUPAC1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-4-methyl-2-phenylimidazole
SMILESCOc1cc(C)c(S(=O)(=O)n2cc(C)nc2-c2ccccc2)cc1C
InChIInChI=1S/C19H20N2O3S/c1-13-11-18(14(2)10-17(13)24-4)25(22,23)21-12-15(3)20-19(21)16-8-6-5-7-9-16/h5-12H,1-4H3
InChIKeyIOSRESPDILIUNP-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.72
Rot. Bonds4

About 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-4-methyl-2-phenylimidazole

1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-4-methyl-2-phenylimidazole (PubChem CID 2983776) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-4-methyl-2-phenylimidazole.

Molecular Properties

Compound Name1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-4-methyl-2-phenylimidazole
PubChem CID2983776
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-4-methyl-2-phenylimidazole
SMILESCOc1cc(C)c(S(=O)(=O)n2cc(C)nc2-c2ccccc2)cc1C
InChIInChI=1S/C19H20N2O3S/c1-13-11-18(14(2)10-17(13)24-4)25(22,23)21-12-15(3)20-19(21)16-8-6-5-7-9-16/h5-12H,1-4H3
InChIKeyIOSRESPDILIUNP-UHFFFAOYSA-N
XLogP3.72
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-4-methyl-2-phenylimidazole?
The IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-4-methyl-2-phenylimidazole (CID 2983776) is 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-4-methyl-2-phenylimidazole.
What is the SMILES notation for 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-4-methyl-2-phenylimidazole?
The canonical SMILES for 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-4-methyl-2-phenylimidazole is COc1cc(C)c(S(=O)(=O)n2cc(C)nc2-c2ccccc2)cc1C.
What is the InChIKey of 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-4-methyl-2-phenylimidazole?
The InChIKey is IOSRESPDILIUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-13-11-18(14(2)10-17(13)24-4)25(22,23)21-12-15(3)20-19(21)16-8-6-5-7-9-16/h5-12H,1-4H3.
What are the key properties of 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-4-methyl-2-phenylimidazole?
1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-4-methyl-2-phenylimidazole has a molecular weight of 356.45 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,5-dimethylphenyl)sulfonyl-4-methyl-2-phenylimidazole is sourced from PubChem (CID 2983776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).