1,2-dimethyl-4-(methylsulfonylmethyl)imidazole

C7H12N2O2S — CID 117191419

IUPAC1,2-dimethyl-4-(methylsulfonylmethyl)imidazole
SMILESCc1nc(CS(C)(=O)=O)cn1C
InChIInChI=1S/C7H12N2O2S/c1-6-8-7(4-9(6)2)5-12(3,10)11/h4H,5H2,1-3H3
InChIKeyNZXOZRYPCYWBPI-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.27
Rot. Bonds2

About 1,2-dimethyl-4-(methylsulfonylmethyl)imidazole

1,2-dimethyl-4-(methylsulfonylmethyl)imidazole (PubChem CID 117191419) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is 1,2-dimethyl-4-(methylsulfonylmethyl)imidazole.

Molecular Properties

Compound Name1,2-dimethyl-4-(methylsulfonylmethyl)imidazole
PubChem CID117191419
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Name1,2-dimethyl-4-(methylsulfonylmethyl)imidazole
SMILESCc1nc(CS(C)(=O)=O)cn1C
InChIInChI=1S/C7H12N2O2S/c1-6-8-7(4-9(6)2)5-12(3,10)11/h4H,5H2,1-3H3
InChIKeyNZXOZRYPCYWBPI-UHFFFAOYSA-N
XLogP0.27
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-(methylsulfonylmethyl)imidazole?
The IUPAC name of 1,2-dimethyl-4-(methylsulfonylmethyl)imidazole (CID 117191419) is 1,2-dimethyl-4-(methylsulfonylmethyl)imidazole.
What is the SMILES notation for 1,2-dimethyl-4-(methylsulfonylmethyl)imidazole?
The canonical SMILES for 1,2-dimethyl-4-(methylsulfonylmethyl)imidazole is Cc1nc(CS(C)(=O)=O)cn1C.
What is the InChIKey of 1,2-dimethyl-4-(methylsulfonylmethyl)imidazole?
The InChIKey is NZXOZRYPCYWBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-6-8-7(4-9(6)2)5-12(3,10)11/h4H,5H2,1-3H3.
What are the key properties of 1,2-dimethyl-4-(methylsulfonylmethyl)imidazole?
1,2-dimethyl-4-(methylsulfonylmethyl)imidazole has a molecular weight of 188.25 g/mol, XLogP of 0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-(methylsulfonylmethyl)imidazole is sourced from PubChem (CID 117191419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).