1-hydroxy-2,2,5,5-tetramethyl-4-thiophen-2-ylimidazole

C11H16N2OS — CID 911678

IUPAC1-hydroxy-2,2,5,5-tetramethyl-4-thiophen-2-ylimidazole
SMILESCC1(C)N=C(c2cccs2)C(C)(C)N1O
InChIInChI=1S/C11H16N2OS/c1-10(2)9(8-6-5-7-15-8)12-11(3,4)13(10)14/h5-7,14H,1-4H3
InChIKeyWFCQSJHRCDPGEU-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.76
Rot. Bonds1

About 1-hydroxy-2,2,5,5-tetramethyl-4-thiophen-2-ylimidazole

1-hydroxy-2,2,5,5-tetramethyl-4-thiophen-2-ylimidazole (PubChem CID 911678) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-hydroxy-2,2,5,5-tetramethyl-4-thiophen-2-ylimidazole.

Molecular Properties

Compound Name1-hydroxy-2,2,5,5-tetramethyl-4-thiophen-2-ylimidazole
PubChem CID911678
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name1-hydroxy-2,2,5,5-tetramethyl-4-thiophen-2-ylimidazole
SMILESCC1(C)N=C(c2cccs2)C(C)(C)N1O
InChIInChI=1S/C11H16N2OS/c1-10(2)9(8-6-5-7-15-8)12-11(3,4)13(10)14/h5-7,14H,1-4H3
InChIKeyWFCQSJHRCDPGEU-UHFFFAOYSA-N
XLogP2.76
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,2,5,5-tetramethyl-4-thiophen-2-ylimidazole?
The IUPAC name of 1-hydroxy-2,2,5,5-tetramethyl-4-thiophen-2-ylimidazole (CID 911678) is 1-hydroxy-2,2,5,5-tetramethyl-4-thiophen-2-ylimidazole.
What is the SMILES notation for 1-hydroxy-2,2,5,5-tetramethyl-4-thiophen-2-ylimidazole?
The canonical SMILES for 1-hydroxy-2,2,5,5-tetramethyl-4-thiophen-2-ylimidazole is CC1(C)N=C(c2cccs2)C(C)(C)N1O.
What is the InChIKey of 1-hydroxy-2,2,5,5-tetramethyl-4-thiophen-2-ylimidazole?
The InChIKey is WFCQSJHRCDPGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-10(2)9(8-6-5-7-15-8)12-11(3,4)13(10)14/h5-7,14H,1-4H3.
What are the key properties of 1-hydroxy-2,2,5,5-tetramethyl-4-thiophen-2-ylimidazole?
1-hydroxy-2,2,5,5-tetramethyl-4-thiophen-2-ylimidazole has a molecular weight of 224.33 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,2,5,5-tetramethyl-4-thiophen-2-ylimidazole is sourced from PubChem (CID 911678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).