1-methyl-4-methylsulfonyl-4,5-dihydroimidazole

C5H10N2O2S — CID 89207409

IUPAC1-methyl-4-methylsulfonyl-4,5-dihydroimidazole
SMILESCN1C=NC(S(C)(=O)=O)C1
InChIInChI=1S/C5H10N2O2S/c1-7-3-5(6-4-7)10(2,8)9/h4-5H,3H2,1-2H3
InChIKeyHCSOETOAPTYMLW-UHFFFAOYSA-N
MW162.21 g/mol
LogP-0.67
Rot. Bonds1

About 1-methyl-4-methylsulfonyl-4,5-dihydroimidazole

1-methyl-4-methylsulfonyl-4,5-dihydroimidazole (PubChem CID 89207409) has the molecular formula C5H10N2O2S and a molecular weight of 162.21 g/mol. Its IUPAC name is 1-methyl-4-methylsulfonyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-methyl-4-methylsulfonyl-4,5-dihydroimidazole
PubChem CID89207409
Molecular FormulaC5H10N2O2S
Molecular Weight162.21 g/mol
Exact Mass162.05
IUPAC Name1-methyl-4-methylsulfonyl-4,5-dihydroimidazole
SMILESCN1C=NC(S(C)(=O)=O)C1
InChIInChI=1S/C5H10N2O2S/c1-7-3-5(6-4-7)10(2,8)9/h4-5H,3H2,1-2H3
InChIKeyHCSOETOAPTYMLW-UHFFFAOYSA-N
XLogP-0.67
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 5-0.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-methylsulfonyl-4,5-dihydroimidazole?
The IUPAC name of 1-methyl-4-methylsulfonyl-4,5-dihydroimidazole (CID 89207409) is 1-methyl-4-methylsulfonyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-methyl-4-methylsulfonyl-4,5-dihydroimidazole?
The canonical SMILES for 1-methyl-4-methylsulfonyl-4,5-dihydroimidazole is CN1C=NC(S(C)(=O)=O)C1.
What is the InChIKey of 1-methyl-4-methylsulfonyl-4,5-dihydroimidazole?
The InChIKey is HCSOETOAPTYMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2S/c1-7-3-5(6-4-7)10(2,8)9/h4-5H,3H2,1-2H3.
What are the key properties of 1-methyl-4-methylsulfonyl-4,5-dihydroimidazole?
1-methyl-4-methylsulfonyl-4,5-dihydroimidazole has a molecular weight of 162.21 g/mol, XLogP of -0.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-methylsulfonyl-4,5-dihydroimidazole is sourced from PubChem (CID 89207409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).