1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazole

C18H26N2O2S — CID 521274

IUPAC1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazole
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)n2ccnc2)c(C(C)C)c1
InChIInChI=1S/C18H26N2O2S/c1-12(2)15-9-16(13(3)4)18(17(10-15)14(5)6)23(21,22)20-8-7-19-11-20/h7-14H,1-6H3
InChIKeyAGGRGODMKWLSDE-UHFFFAOYSA-N
MW334.49 g/mol
LogP4.49
Rot. Bonds5

About 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazole

1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazole (PubChem CID 521274) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazole.

Molecular Properties

Compound Name1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazole
PubChem CID521274
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC Name1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazole
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)n2ccnc2)c(C(C)C)c1
InChIInChI=1S/C18H26N2O2S/c1-12(2)15-9-16(13(3)4)18(17(10-15)14(5)6)23(21,22)20-8-7-19-11-20/h7-14H,1-6H3
InChIKeyAGGRGODMKWLSDE-UHFFFAOYSA-N
XLogP4.49
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazole?
The IUPAC name of 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazole (CID 521274) is 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazole.
What is the SMILES notation for 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazole?
The canonical SMILES for 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazole is CC(C)c1cc(C(C)C)c(S(=O)(=O)n2ccnc2)c(C(C)C)c1.
What is the InChIKey of 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazole?
The InChIKey is AGGRGODMKWLSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-12(2)15-9-16(13(3)4)18(17(10-15)14(5)6)23(21,22)20-8-7-19-11-20/h7-14H,1-6H3.
What are the key properties of 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazole?
1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazole has a molecular weight of 334.49 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazole is sourced from PubChem (CID 521274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).