[3-(4-methylphenyl)sulfonyl-2,5-di(propan-2-yl)imidazol-4-yl]methyl acetate

C19H26N2O4S — CID 23343213

IUPAC[3-(4-methylphenyl)sulfonyl-2,5-di(propan-2-yl)imidazol-4-yl]methyl acetate
SMILESCC(=O)OCc1c(C(C)C)nc(C(C)C)n1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H26N2O4S/c1-12(2)18-17(11-25-15(6)22)21(19(20-18)13(3)4)26(23,24)16-9-7-14(5)8-10-16/h7-10,12-13H,11H2,1-6H3
InChIKeyVFMKXHARRZJLLI-UHFFFAOYSA-N
MW378.49 g/mol
LogP3.74
Rot. Bonds6

About [3-(4-methylphenyl)sulfonyl-2,5-di(propan-2-yl)imidazol-4-yl]methyl acetate

[3-(4-methylphenyl)sulfonyl-2,5-di(propan-2-yl)imidazol-4-yl]methyl acetate (PubChem CID 23343213) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is [3-(4-methylphenyl)sulfonyl-2,5-di(propan-2-yl)imidazol-4-yl]methyl acetate.

Molecular Properties

Compound Name[3-(4-methylphenyl)sulfonyl-2,5-di(propan-2-yl)imidazol-4-yl]methyl acetate
PubChem CID23343213
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC Name[3-(4-methylphenyl)sulfonyl-2,5-di(propan-2-yl)imidazol-4-yl]methyl acetate
SMILESCC(=O)OCc1c(C(C)C)nc(C(C)C)n1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H26N2O4S/c1-12(2)18-17(11-25-15(6)22)21(19(20-18)13(3)4)26(23,24)16-9-7-14(5)8-10-16/h7-10,12-13H,11H2,1-6H3
InChIKeyVFMKXHARRZJLLI-UHFFFAOYSA-N
XLogP3.74
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(4-methylphenyl)sulfonyl-2,5-di(propan-2-yl)imidazol-4-yl]methyl acetate?
The IUPAC name of [3-(4-methylphenyl)sulfonyl-2,5-di(propan-2-yl)imidazol-4-yl]methyl acetate (CID 23343213) is [3-(4-methylphenyl)sulfonyl-2,5-di(propan-2-yl)imidazol-4-yl]methyl acetate.
What is the SMILES notation for [3-(4-methylphenyl)sulfonyl-2,5-di(propan-2-yl)imidazol-4-yl]methyl acetate?
The canonical SMILES for [3-(4-methylphenyl)sulfonyl-2,5-di(propan-2-yl)imidazol-4-yl]methyl acetate is CC(=O)OCc1c(C(C)C)nc(C(C)C)n1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of [3-(4-methylphenyl)sulfonyl-2,5-di(propan-2-yl)imidazol-4-yl]methyl acetate?
The InChIKey is VFMKXHARRZJLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-12(2)18-17(11-25-15(6)22)21(19(20-18)13(3)4)26(23,24)16-9-7-14(5)8-10-16/h7-10,12-13H,11H2,1-6H3.
What are the key properties of [3-(4-methylphenyl)sulfonyl-2,5-di(propan-2-yl)imidazol-4-yl]methyl acetate?
[3-(4-methylphenyl)sulfonyl-2,5-di(propan-2-yl)imidazol-4-yl]methyl acetate has a molecular weight of 378.49 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylphenyl)sulfonyl-2,5-di(propan-2-yl)imidazol-4-yl]methyl acetate is sourced from PubChem (CID 23343213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).