1-(2-phenyl-2-sulfonylethyl)imidazole

C11H10N2O2S — CID 21402211

IUPAC1-(2-phenyl-2-sulfonylethyl)imidazole
SMILESO=S(=O)=C(Cn1ccnc1)c1ccccc1
InChIInChI=1S/C11H10N2O2S/c14-16(15)11(8-13-7-6-12-9-13)10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKeyZBRVEDZLDXUFBT-UHFFFAOYSA-N
MW234.28 g/mol
LogP0.98
Rot. Bonds3

About 1-(2-phenyl-2-sulfonylethyl)imidazole

1-(2-phenyl-2-sulfonylethyl)imidazole (PubChem CID 21402211) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 1-(2-phenyl-2-sulfonylethyl)imidazole.

Molecular Properties

Compound Name1-(2-phenyl-2-sulfonylethyl)imidazole
PubChem CID21402211
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name1-(2-phenyl-2-sulfonylethyl)imidazole
SMILESO=S(=O)=C(Cn1ccnc1)c1ccccc1
InChIInChI=1S/C11H10N2O2S/c14-16(15)11(8-13-7-6-12-9-13)10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKeyZBRVEDZLDXUFBT-UHFFFAOYSA-N
XLogP0.98
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-imidazol-1-yl-1-pyridin-3-ylethanone
CID 70494424
[2-(imidazol-1-ylmethyl)phenyl]-phenylmethanone
CID 16747937
benzoic acid;1-propylimidazole
CID 173073057
1-imidazol-1-yl-4-phenylbutan-2-one
CID 12816466
1-imidazol-1-yl-4-phenylbut-3-en-2-one
CID 54468308
1-imidazol-1-yl-3-phenoxypropan-2-one
CID 135386430
benzhydryl 2-imidazol-1-ylacetate
CID 3678349
2-imidazol-1-yl-1-thiophen-2-ylethanone
CID 14264751
[(E)-1-(4-chlorophenyl)-3-imidazol-1-yl-2-phenylprop-1-enyl] nitrate
CID 22800050
N-(2-imidazol-1-ylethyl)-3-oxo-3-phenylpropanamide
CID 110473171
1-[4-(benzenesulfinyl)butyl]imidazole
CID 58580469
ethyl 2-[2-[(2-imidazol-1-yl-1-phenylethylidene)amino]oxyethoxy]acetate
CID 148545907

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyl-2-sulfonylethyl)imidazole?
The IUPAC name of 1-(2-phenyl-2-sulfonylethyl)imidazole (CID 21402211) is 1-(2-phenyl-2-sulfonylethyl)imidazole.
What is the SMILES notation for 1-(2-phenyl-2-sulfonylethyl)imidazole?
The canonical SMILES for 1-(2-phenyl-2-sulfonylethyl)imidazole is O=S(=O)=C(Cn1ccnc1)c1ccccc1.
What is the InChIKey of 1-(2-phenyl-2-sulfonylethyl)imidazole?
The InChIKey is ZBRVEDZLDXUFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c14-16(15)11(8-13-7-6-12-9-13)10-4-2-1-3-5-10/h1-7,9H,8H2.
What are the key properties of 1-(2-phenyl-2-sulfonylethyl)imidazole?
1-(2-phenyl-2-sulfonylethyl)imidazole has a molecular weight of 234.28 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyl-2-sulfonylethyl)imidazole is sourced from PubChem (CID 21402211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).