1-(2-methoxyethyl)-2-(2-methoxyethylsulfonyl)-4,5-dimethylimidazole

C11H20N2O4S — CID 47076055

IUPAC1-(2-methoxyethyl)-2-(2-methoxyethylsulfonyl)-4,5-dimethylimidazole
SMILESCOCCn1c(S(=O)(=O)CCOC)nc(C)c1C
InChIInChI=1S/C11H20N2O4S/c1-9-10(2)13(5-6-16-3)11(12-9)18(14,15)8-7-17-4/h5-8H2,1-4H3
InChIKeyKZELBQRCSCSYLC-UHFFFAOYSA-N
MW276.36 g/mol
LogP0.57
Rot. Bonds7

About 1-(2-methoxyethyl)-2-(2-methoxyethylsulfonyl)-4,5-dimethylimidazole

1-(2-methoxyethyl)-2-(2-methoxyethylsulfonyl)-4,5-dimethylimidazole (PubChem CID 47076055) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-(2-methoxyethylsulfonyl)-4,5-dimethylimidazole.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-(2-methoxyethylsulfonyl)-4,5-dimethylimidazole
PubChem CID47076055
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Name1-(2-methoxyethyl)-2-(2-methoxyethylsulfonyl)-4,5-dimethylimidazole
SMILESCOCCn1c(S(=O)(=O)CCOC)nc(C)c1C
InChIInChI=1S/C11H20N2O4S/c1-9-10(2)13(5-6-16-3)11(12-9)18(14,15)8-7-17-4/h5-8H2,1-4H3
InChIKeyKZELBQRCSCSYLC-UHFFFAOYSA-N
XLogP0.57
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-(2-methoxyethylsulfonyl)-4,5-dimethylimidazole?
The IUPAC name of 1-(2-methoxyethyl)-2-(2-methoxyethylsulfonyl)-4,5-dimethylimidazole (CID 47076055) is 1-(2-methoxyethyl)-2-(2-methoxyethylsulfonyl)-4,5-dimethylimidazole.
What is the SMILES notation for 1-(2-methoxyethyl)-2-(2-methoxyethylsulfonyl)-4,5-dimethylimidazole?
The canonical SMILES for 1-(2-methoxyethyl)-2-(2-methoxyethylsulfonyl)-4,5-dimethylimidazole is COCCn1c(S(=O)(=O)CCOC)nc(C)c1C.
What is the InChIKey of 1-(2-methoxyethyl)-2-(2-methoxyethylsulfonyl)-4,5-dimethylimidazole?
The InChIKey is KZELBQRCSCSYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-9-10(2)13(5-6-16-3)11(12-9)18(14,15)8-7-17-4/h5-8H2,1-4H3.
What are the key properties of 1-(2-methoxyethyl)-2-(2-methoxyethylsulfonyl)-4,5-dimethylimidazole?
1-(2-methoxyethyl)-2-(2-methoxyethylsulfonyl)-4,5-dimethylimidazole has a molecular weight of 276.36 g/mol, XLogP of 0.57, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-(2-methoxyethylsulfonyl)-4,5-dimethylimidazole is sourced from PubChem (CID 47076055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).