1-hydroxy-2-thiophen-2-ylimidazole

C7H6N2OS — CID 11321166

IUPAC1-hydroxy-2-thiophen-2-ylimidazole
SMILESOn1ccnc1-c1cccs1
InChIInChI=1S/C7H6N2OS/c10-9-4-3-8-7(9)6-2-1-5-11-6/h1-5,10H
InChIKeyLQSJVAFFHJPIKA-UHFFFAOYSA-N
MW166.21 g/mol
LogP1.85
Rot. Bonds1

About 1-hydroxy-2-thiophen-2-ylimidazole

1-hydroxy-2-thiophen-2-ylimidazole (PubChem CID 11321166) has the molecular formula C7H6N2OS and a molecular weight of 166.21 g/mol. Its IUPAC name is 1-hydroxy-2-thiophen-2-ylimidazole.

Molecular Properties

Compound Name1-hydroxy-2-thiophen-2-ylimidazole
PubChem CID11321166
Molecular FormulaC7H6N2OS
Molecular Weight166.21 g/mol
Exact Mass166.02
IUPAC Name1-hydroxy-2-thiophen-2-ylimidazole
SMILESOn1ccnc1-c1cccs1
InChIInChI=1S/C7H6N2OS/c10-9-4-3-8-7(9)6-2-1-5-11-6/h1-5,10H
InChIKeyLQSJVAFFHJPIKA-UHFFFAOYSA-N
XLogP1.85
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-thiophen-2-ylimidazole?
The IUPAC name of 1-hydroxy-2-thiophen-2-ylimidazole (CID 11321166) is 1-hydroxy-2-thiophen-2-ylimidazole.
What is the SMILES notation for 1-hydroxy-2-thiophen-2-ylimidazole?
The canonical SMILES for 1-hydroxy-2-thiophen-2-ylimidazole is On1ccnc1-c1cccs1.
What is the InChIKey of 1-hydroxy-2-thiophen-2-ylimidazole?
The InChIKey is LQSJVAFFHJPIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2OS/c10-9-4-3-8-7(9)6-2-1-5-11-6/h1-5,10H.
What are the key properties of 1-hydroxy-2-thiophen-2-ylimidazole?
1-hydroxy-2-thiophen-2-ylimidazole has a molecular weight of 166.21 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-thiophen-2-ylimidazole is sourced from PubChem (CID 11321166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).