4-methyl-1-propan-2-yl-2-(propan-2-ylsulfonylmethyl)imidazole

C11H20N2O2S — CID 117187589

IUPAC4-methyl-1-propan-2-yl-2-(propan-2-ylsulfonylmethyl)imidazole
SMILESCc1cn(C(C)C)c(CS(=O)(=O)C(C)C)n1
InChIInChI=1S/C11H20N2O2S/c1-8(2)13-6-10(5)12-11(13)7-16(14,15)9(3)4/h6,8-9H,7H2,1-5H3
InChIKeyXXIXOFKZMDUQNE-UHFFFAOYSA-N
MW244.36 g/mol
LogP2.10
Rot. Bonds4

About 4-methyl-1-propan-2-yl-2-(propan-2-ylsulfonylmethyl)imidazole

4-methyl-1-propan-2-yl-2-(propan-2-ylsulfonylmethyl)imidazole (PubChem CID 117187589) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 4-methyl-1-propan-2-yl-2-(propan-2-ylsulfonylmethyl)imidazole.

Molecular Properties

Compound Name4-methyl-1-propan-2-yl-2-(propan-2-ylsulfonylmethyl)imidazole
PubChem CID117187589
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name4-methyl-1-propan-2-yl-2-(propan-2-ylsulfonylmethyl)imidazole
SMILESCc1cn(C(C)C)c(CS(=O)(=O)C(C)C)n1
InChIInChI=1S/C11H20N2O2S/c1-8(2)13-6-10(5)12-11(13)7-16(14,15)9(3)4/h6,8-9H,7H2,1-5H3
InChIKeyXXIXOFKZMDUQNE-UHFFFAOYSA-N
XLogP2.10
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,5-dimethyl-2-(propan-2-ylsulfonylmethyl)imidazole
CID 117188344
2-butan-2-yl-4-methyl-1-propan-2-ylimidazole
CID 129190892
7-methyl-1-propan-2-yl-3-(propan-2-ylsulfonylmethyl)indole
CID 117186293
2-[(2-chlorophenoxy)methyl]-4-methyl-1-propan-2-ylimidazole
CID 117187630
4-methyl-1-propan-2-yl-2-pyrrolidin-1-ylimidazole
CID 117189652
2-methoxy-4-methyl-1-propan-2-ylimidazole
CID 117189962
2-bromo-1-ethyl-4-(propan-2-ylsulfonylmethyl)imidazole
CID 117191831
(2S)-2-(2-ethyl-4-methylimidazol-1-yl)propanenitrile
CID 124559917
1-propan-2-yl-3-(propan-2-ylsulfonylmethyl)indol-6-amine
CID 117178915
1-butan-2-yl-N-ethyl-4-methylimidazol-2-amine
CID 106554895
N-(1-methoxypropan-2-yl)-4-methyl-1-propan-2-ylimidazol-2-amine
CID 106554828
4-methyl-N-(2-methylsulfanylethyl)-1-propan-2-ylimidazol-2-amine
CID 106572589

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propan-2-yl-2-(propan-2-ylsulfonylmethyl)imidazole?
The IUPAC name of 4-methyl-1-propan-2-yl-2-(propan-2-ylsulfonylmethyl)imidazole (CID 117187589) is 4-methyl-1-propan-2-yl-2-(propan-2-ylsulfonylmethyl)imidazole.
What is the SMILES notation for 4-methyl-1-propan-2-yl-2-(propan-2-ylsulfonylmethyl)imidazole?
The canonical SMILES for 4-methyl-1-propan-2-yl-2-(propan-2-ylsulfonylmethyl)imidazole is Cc1cn(C(C)C)c(CS(=O)(=O)C(C)C)n1.
What is the InChIKey of 4-methyl-1-propan-2-yl-2-(propan-2-ylsulfonylmethyl)imidazole?
The InChIKey is XXIXOFKZMDUQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-8(2)13-6-10(5)12-11(13)7-16(14,15)9(3)4/h6,8-9H,7H2,1-5H3.
What are the key properties of 4-methyl-1-propan-2-yl-2-(propan-2-ylsulfonylmethyl)imidazole?
4-methyl-1-propan-2-yl-2-(propan-2-ylsulfonylmethyl)imidazole has a molecular weight of 244.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propan-2-yl-2-(propan-2-ylsulfonylmethyl)imidazole is sourced from PubChem (CID 117187589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).