2-[(E)-2-ethylsulfonylethenyl]-1H-imidazole

C7H10N2O2S — CID 138573014

IUPAC2-[(E)-2-ethylsulfonylethenyl]-1H-imidazole
SMILESCCS(=O)(=O)/C=C/c1ncc[nH]1
InChIInChI=1S/C7H10N2O2S/c1-2-12(10,11)6-3-7-8-4-5-9-7/h3-6H,2H2,1H3,(H,8,9)/b6-3+
InChIKeyZQTVCJHGIQGKLT-ZZXKWVIFSA-N
MW186.24 g/mol
LogP0.82
Rot. Bonds3

About 2-[(E)-2-ethylsulfonylethenyl]-1H-imidazole

2-[(E)-2-ethylsulfonylethenyl]-1H-imidazole (PubChem CID 138573014) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 2-[(E)-2-ethylsulfonylethenyl]-1H-imidazole.

Molecular Properties

Compound Name2-[(E)-2-ethylsulfonylethenyl]-1H-imidazole
PubChem CID138573014
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name2-[(E)-2-ethylsulfonylethenyl]-1H-imidazole
SMILESCCS(=O)(=O)/C=C/c1ncc[nH]1
InChIInChI=1S/C7H10N2O2S/c1-2-12(10,11)6-3-7-8-4-5-9-7/h3-6H,2H2,1H3,(H,8,9)/b6-3+
InChIKeyZQTVCJHGIQGKLT-ZZXKWVIFSA-N
XLogP0.82
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-ethylsulfonylethenyl]-1H-imidazole?
The IUPAC name of 2-[(E)-2-ethylsulfonylethenyl]-1H-imidazole (CID 138573014) is 2-[(E)-2-ethylsulfonylethenyl]-1H-imidazole.
What is the SMILES notation for 2-[(E)-2-ethylsulfonylethenyl]-1H-imidazole?
The canonical SMILES for 2-[(E)-2-ethylsulfonylethenyl]-1H-imidazole is CCS(=O)(=O)/C=C/c1ncc[nH]1.
What is the InChIKey of 2-[(E)-2-ethylsulfonylethenyl]-1H-imidazole?
The InChIKey is ZQTVCJHGIQGKLT-ZZXKWVIFSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-2-12(10,11)6-3-7-8-4-5-9-7/h3-6H,2H2,1H3,(H,8,9)/b6-3+.
What are the key properties of 2-[(E)-2-ethylsulfonylethenyl]-1H-imidazole?
2-[(E)-2-ethylsulfonylethenyl]-1H-imidazole has a molecular weight of 186.24 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-ethylsulfonylethenyl]-1H-imidazole is sourced from PubChem (CID 138573014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).