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

C14H28N2O — CID 11850185

IUPAC2,2-dibutyl-1-hydroxy-4,5,5-trimethylimidazole
SMILESCCCCC1(CCCC)N=C(C)C(C)(C)N1O
InChIInChI=1S/C14H28N2O/c1-6-8-10-14(11-9-7-2)15-12(3)13(4,5)16(14)17/h17H,6-11H2,1-5H3
InChIKeyQVOMZIDZMJKFPQ-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.01
Rot. Bonds6

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

2,2-dibutyl-1-hydroxy-4,5,5-trimethylimidazole (PubChem CID 11850185) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2,2-dibutyl-1-hydroxy-4,5,5-trimethylimidazole.

Molecular Properties

Compound Name2,2-dibutyl-1-hydroxy-4,5,5-trimethylimidazole
PubChem CID11850185
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2,2-dibutyl-1-hydroxy-4,5,5-trimethylimidazole
SMILESCCCCC1(CCCC)N=C(C)C(C)(C)N1O
InChIInChI=1S/C14H28N2O/c1-6-8-10-14(11-9-7-2)15-12(3)13(4,5)16(14)17/h17H,6-11H2,1-5H3
InChIKeyQVOMZIDZMJKFPQ-UHFFFAOYSA-N
XLogP4.01
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dibutyl-1-hydroxy-4,5,5-trimethylimidazole?
The IUPAC name of 2,2-dibutyl-1-hydroxy-4,5,5-trimethylimidazole (CID 11850185) is 2,2-dibutyl-1-hydroxy-4,5,5-trimethylimidazole.
What is the SMILES notation for 2,2-dibutyl-1-hydroxy-4,5,5-trimethylimidazole?
The canonical SMILES for 2,2-dibutyl-1-hydroxy-4,5,5-trimethylimidazole is CCCCC1(CCCC)N=C(C)C(C)(C)N1O.
What is the InChIKey of 2,2-dibutyl-1-hydroxy-4,5,5-trimethylimidazole?
The InChIKey is QVOMZIDZMJKFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-6-8-10-14(11-9-7-2)15-12(3)13(4,5)16(14)17/h17H,6-11H2,1-5H3.
What are the key properties of 2,2-dibutyl-1-hydroxy-4,5,5-trimethylimidazole?
2,2-dibutyl-1-hydroxy-4,5,5-trimethylimidazole has a molecular weight of 240.39 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibutyl-1-hydroxy-4,5,5-trimethylimidazole is sourced from PubChem (CID 11850185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).