2,2-diethyl-1-hydroxy-4,5,5-trimethylimidazole

C10H20N2O — CID 11850262

IUPAC2,2-diethyl-1-hydroxy-4,5,5-trimethylimidazole
SMILESCCC1(CC)N=C(C)C(C)(C)N1O
InChIInChI=1S/C10H20N2O/c1-6-10(7-2)11-8(3)9(4,5)12(10)13/h13H,6-7H2,1-5H3
InChIKeyXHTURACPFHHGSH-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.45
Rot. Bonds2

About 2,2-diethyl-1-hydroxy-4,5,5-trimethylimidazole

2,2-diethyl-1-hydroxy-4,5,5-trimethylimidazole (PubChem CID 11850262) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2,2-diethyl-1-hydroxy-4,5,5-trimethylimidazole.

Molecular Properties

Compound Name2,2-diethyl-1-hydroxy-4,5,5-trimethylimidazole
PubChem CID11850262
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2,2-diethyl-1-hydroxy-4,5,5-trimethylimidazole
SMILESCCC1(CC)N=C(C)C(C)(C)N1O
InChIInChI=1S/C10H20N2O/c1-6-10(7-2)11-8(3)9(4,5)12(10)13/h13H,6-7H2,1-5H3
InChIKeyXHTURACPFHHGSH-UHFFFAOYSA-N
XLogP2.45
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-1-hydroxy-4,5,5-trimethylimidazole?
The IUPAC name of 2,2-diethyl-1-hydroxy-4,5,5-trimethylimidazole (CID 11850262) is 2,2-diethyl-1-hydroxy-4,5,5-trimethylimidazole.
What is the SMILES notation for 2,2-diethyl-1-hydroxy-4,5,5-trimethylimidazole?
The canonical SMILES for 2,2-diethyl-1-hydroxy-4,5,5-trimethylimidazole is CCC1(CC)N=C(C)C(C)(C)N1O.
What is the InChIKey of 2,2-diethyl-1-hydroxy-4,5,5-trimethylimidazole?
The InChIKey is XHTURACPFHHGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-6-10(7-2)11-8(3)9(4,5)12(10)13/h13H,6-7H2,1-5H3.
What are the key properties of 2,2-diethyl-1-hydroxy-4,5,5-trimethylimidazole?
2,2-diethyl-1-hydroxy-4,5,5-trimethylimidazole has a molecular weight of 184.28 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-1-hydroxy-4,5,5-trimethylimidazole is sourced from PubChem (CID 11850262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).