1-(1,3-benzodioxol-5-yl)-2-methylsulfonylimidazole

C11H10N2O4S — CID 82133808

IUPAC1-(1,3-benzodioxol-5-yl)-2-methylsulfonylimidazole
SMILESCS(=O)(=O)c1nccn1-c1ccc2c(c1)OCO2
InChIInChI=1S/C11H10N2O4S/c1-18(14,15)11-12-4-5-13(11)8-2-3-9-10(6-8)17-7-16-9/h2-6H,7H2,1H3
InChIKeyWFRDQHZFKIKABT-UHFFFAOYSA-N
MW266.28 g/mol
LogP1.00
Rot. Bonds2

About 1-(1,3-benzodioxol-5-yl)-2-methylsulfonylimidazole

1-(1,3-benzodioxol-5-yl)-2-methylsulfonylimidazole (PubChem CID 82133808) has the molecular formula C11H10N2O4S and a molecular weight of 266.28 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-2-methylsulfonylimidazole.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-2-methylsulfonylimidazole
PubChem CID82133808
Molecular FormulaC11H10N2O4S
Molecular Weight266.28 g/mol
Exact Mass266.04
IUPAC Name1-(1,3-benzodioxol-5-yl)-2-methylsulfonylimidazole
SMILESCS(=O)(=O)c1nccn1-c1ccc2c(c1)OCO2
InChIInChI=1S/C11H10N2O4S/c1-18(14,15)11-12-4-5-13(11)8-2-3-9-10(6-8)17-7-16-9/h2-6H,7H2,1H3
InChIKeyWFRDQHZFKIKABT-UHFFFAOYSA-N
XLogP1.00
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(1,3-benzodioxol-5-yl)imidazol-2-yl]sulfanylacetamide
CID 94700017
1-(1,3-benzodioxol-5-yl)-3-(3-methylbutylamino)pyrazin-2-one
CID 20941705
6-(1,3-benzodioxol-5-yl)-1-(4-methylsulfonylphenyl)benzimidazole
CID 126669483
2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazol-2-yl]sulfanylethanamine
CID 94700120
3-(1,3-benzodioxol-5-ylmethylamino)-1-(4-propan-2-ylphenyl)pyrazin-2-one
CID 46337596
4-(1,3-benzodioxol-5-yl)-1H-pyrazine-2,3-dione
CID 46506801
6-[2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]quinoxaline
CID 95559962
3-(1,3-benzodioxol-5-ylmethylamino)-1-(4-chlorophenyl)pyrazin-2-one
CID 46337475
3-(1,3-benzodioxol-5-yl)-7-methylimidazo[4,5-b]pyridin-2-amine
CID 79277003
1-[1-(1,3-benzodioxol-5-yl)pyrrol-2-yl]propan-2-amine
CID 170865026
2-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(1,3-dihydro-2-benzofuran-5-yl)imidazole
CID 138383889
ethyl 1-(1,3-benzodioxol-5-yl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate
CID 139617799

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-2-methylsulfonylimidazole?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-2-methylsulfonylimidazole (CID 82133808) is 1-(1,3-benzodioxol-5-yl)-2-methylsulfonylimidazole.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-2-methylsulfonylimidazole?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-2-methylsulfonylimidazole is CS(=O)(=O)c1nccn1-c1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-2-methylsulfonylimidazole?
The InChIKey is WFRDQHZFKIKABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S/c1-18(14,15)11-12-4-5-13(11)8-2-3-9-10(6-8)17-7-16-9/h2-6H,7H2,1H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-2-methylsulfonylimidazole?
1-(1,3-benzodioxol-5-yl)-2-methylsulfonylimidazole has a molecular weight of 266.28 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-2-methylsulfonylimidazole is sourced from PubChem (CID 82133808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).