4-ethyl-1-hydroxy-2,2,5,5-tetramethylimidazole

C9H18N2O — CID 586885

IUPAC4-ethyl-1-hydroxy-2,2,5,5-tetramethylimidazole
SMILESCCC1=NC(C)(C)N(O)C1(C)C
InChIInChI=1S/C9H18N2O/c1-6-7-8(2,3)11(12)9(4,5)10-7/h12H,6H2,1-5H3
InChIKeyCOATXDOERYXMSV-UHFFFAOYSA-N
MW170.26 g/mol
LogP2.06
Rot. Bonds1

About 4-ethyl-1-hydroxy-2,2,5,5-tetramethylimidazole

4-ethyl-1-hydroxy-2,2,5,5-tetramethylimidazole (PubChem CID 586885) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 4-ethyl-1-hydroxy-2,2,5,5-tetramethylimidazole.

Molecular Properties

Compound Name4-ethyl-1-hydroxy-2,2,5,5-tetramethylimidazole
PubChem CID586885
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name4-ethyl-1-hydroxy-2,2,5,5-tetramethylimidazole
SMILESCCC1=NC(C)(C)N(O)C1(C)C
InChIInChI=1S/C9H18N2O/c1-6-7-8(2,3)11(12)9(4,5)10-7/h12H,6H2,1-5H3
InChIKeyCOATXDOERYXMSV-UHFFFAOYSA-N
XLogP2.06
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-hydroxy-2,2,5,5-tetramethylimidazole?
The IUPAC name of 4-ethyl-1-hydroxy-2,2,5,5-tetramethylimidazole (CID 586885) is 4-ethyl-1-hydroxy-2,2,5,5-tetramethylimidazole.
What is the SMILES notation for 4-ethyl-1-hydroxy-2,2,5,5-tetramethylimidazole?
The canonical SMILES for 4-ethyl-1-hydroxy-2,2,5,5-tetramethylimidazole is CCC1=NC(C)(C)N(O)C1(C)C.
What is the InChIKey of 4-ethyl-1-hydroxy-2,2,5,5-tetramethylimidazole?
The InChIKey is COATXDOERYXMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-6-7-8(2,3)11(12)9(4,5)10-7/h12H,6H2,1-5H3.
What are the key properties of 4-ethyl-1-hydroxy-2,2,5,5-tetramethylimidazole?
4-ethyl-1-hydroxy-2,2,5,5-tetramethylimidazole has a molecular weight of 170.26 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-hydroxy-2,2,5,5-tetramethylimidazole is sourced from PubChem (CID 586885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).