2-butyl-1-methyl-1H-imidazol-1-ium hydroxide

C8H16N2O — CID 66932678

IUPAC2-butyl-1-methyl-1H-imidazol-1-ium hydroxide
SMILESCCCCC1=NC=C[NH+]1C.[OH-]
InChIInChI=1S/C8H14N2.H2O/c1-3-4-5-8-9-6-7-10(8)2;/h6-7H,3-5H2,1-2H3;1H2
InChIKeyPLNQBXWTAVANEJ-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.40
Rot. Bonds3

About 2-butyl-1-methyl-1H-imidazol-1-ium hydroxide

2-butyl-1-methyl-1H-imidazol-1-ium hydroxide (PubChem CID 66932678) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-butyl-1-methyl-1H-imidazol-1-ium hydroxide.

Molecular Properties

Compound Name2-butyl-1-methyl-1H-imidazol-1-ium hydroxide
PubChem CID66932678
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-butyl-1-methyl-1H-imidazol-1-ium hydroxide
SMILESCCCCC1=NC=C[NH+]1C.[OH-]
InChIInChI=1S/C8H14N2.H2O/c1-3-4-5-8-9-6-7-10(8)2;/h6-7H,3-5H2,1-2H3;1H2
InChIKeyPLNQBXWTAVANEJ-UHFFFAOYSA-N
XLogP0.40
TPSA46.80 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butyl-1-methyl-1H-imidazol-1-ium chloride
CID 66620565
2-butyl-1-methyl-1H-imidazol-1-ium bromide
CID 66620666
2-hexyl-1-methyl-1H-imidazol-1-ium iodide
CID 66652284
2-butyl-1-methyl-1H-imidazol-1-ium iodide
CID 66714320
3-(1-methyl-1H-imidazol-1-ium-2-yl)propan-1-amine bromide
CID 66882482
1-methyl-2-propyl-1H-imidazol-1-ium iodide
CID 66955139
1-hexyl-2-methyl-1H-imidazol-1-ium iodide
CID 66955748
1-methyl-2-tetradecyl-1H-imidazol-1-ium chloride
CID 68115153
2-butyl-1-ethyl-1H-imidazol-1-ium chloride
CID 68448346
2-hexyl-1-methyl-1H-imidazol-1-ium bromide
CID 68779090
2-decyl-1-methyl-1H-imidazol-1-ium bromide
CID 68784001
1,2-dibutyl-1H-imidazol-1-ium bromide
CID 69059001

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-methyl-1H-imidazol-1-ium hydroxide?
The IUPAC name of 2-butyl-1-methyl-1H-imidazol-1-ium hydroxide (CID 66932678) is 2-butyl-1-methyl-1H-imidazol-1-ium hydroxide.
What is the SMILES notation for 2-butyl-1-methyl-1H-imidazol-1-ium hydroxide?
The canonical SMILES for 2-butyl-1-methyl-1H-imidazol-1-ium hydroxide is CCCCC1=NC=C[NH+]1C.[OH-].
What is the InChIKey of 2-butyl-1-methyl-1H-imidazol-1-ium hydroxide?
The InChIKey is PLNQBXWTAVANEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.H2O/c1-3-4-5-8-9-6-7-10(8)2;/h6-7H,3-5H2,1-2H3;1H2.
What are the key properties of 2-butyl-1-methyl-1H-imidazol-1-ium hydroxide?
2-butyl-1-methyl-1H-imidazol-1-ium hydroxide has a molecular weight of 156.23 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-methyl-1H-imidazol-1-ium hydroxide is sourced from PubChem (CID 66932678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).