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

C19H28N2O2S — CID 691553

IUPAC2-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazole
SMILESCc1nccn1S(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C19H28N2O2S/c1-12(2)16-10-17(13(3)4)19(18(11-16)14(5)6)24(22,23)21-9-8-20-15(21)7/h8-14H,1-7H3
InChIKeyNVSUEFIODIBPLZ-UHFFFAOYSA-N
MW348.51 g/mol
LogP4.80
Rot. Bonds5

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

2-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazole (PubChem CID 691553) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is 2-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazole.

Molecular Properties

Compound Name2-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazole
PubChem CID691553
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC Name2-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazole
SMILESCc1nccn1S(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C19H28N2O2S/c1-12(2)16-10-17(13(3)4)19(18(11-16)14(5)6)24(22,23)21-9-8-20-15(21)7/h8-14H,1-7H3
InChIKeyNVSUEFIODIBPLZ-UHFFFAOYSA-N
XLogP4.80
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazole?
The IUPAC name of 2-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazole (CID 691553) is 2-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazole.
What is the SMILES notation for 2-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazole?
The canonical SMILES for 2-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazole is Cc1nccn1S(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C.
What is the InChIKey of 2-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazole?
The InChIKey is NVSUEFIODIBPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-12(2)16-10-17(13(3)4)19(18(11-16)14(5)6)24(22,23)21-9-8-20-15(21)7/h8-14H,1-7H3.
What are the key properties of 2-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazole?
2-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazole has a molecular weight of 348.51 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazole is sourced from PubChem (CID 691553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).