1,1,2,4,5-pentamethylimidazol-1-ium hydroxide

C8H16N2O — CID 118235036

IUPAC1,1,2,4,5-pentamethylimidazol-1-ium hydroxide
SMILESCC1=NC(C)=C(C)[N+]1(C)C.[OH-]
InChIInChI=1S/C8H15N2.H2O/c1-6-7(2)10(4,5)8(3)9-6;/h1-5H3;1H2/q+1;/p-1
InChIKeyZLDFTWLVBIDKOT-UHFFFAOYSA-M
MW156.23 g/mol
LogP1.57
Rot. Bonds

About 1,1,2,4,5-pentamethylimidazol-1-ium hydroxide

1,1,2,4,5-pentamethylimidazol-1-ium hydroxide (PubChem CID 118235036) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1,1,2,4,5-pentamethylimidazol-1-ium hydroxide.

Molecular Properties

Compound Name1,1,2,4,5-pentamethylimidazol-1-ium hydroxide
PubChem CID118235036
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1,1,2,4,5-pentamethylimidazol-1-ium hydroxide
SMILESCC1=NC(C)=C(C)[N+]1(C)C.[OH-]
InChIInChI=1S/C8H15N2.H2O/c1-6-7(2)10(4,5)8(3)9-6;/h1-5H3;1H2/q+1;/p-1
InChIKeyZLDFTWLVBIDKOT-UHFFFAOYSA-M
XLogP1.57
TPSA42.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,4,5-pentamethylimidazol-1-ium hydroxide?
The IUPAC name of 1,1,2,4,5-pentamethylimidazol-1-ium hydroxide (CID 118235036) is 1,1,2,4,5-pentamethylimidazol-1-ium hydroxide.
What is the SMILES notation for 1,1,2,4,5-pentamethylimidazol-1-ium hydroxide?
The canonical SMILES for 1,1,2,4,5-pentamethylimidazol-1-ium hydroxide is CC1=NC(C)=C(C)[N+]1(C)C.[OH-].
What is the InChIKey of 1,1,2,4,5-pentamethylimidazol-1-ium hydroxide?
The InChIKey is ZLDFTWLVBIDKOT-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H15N2.H2O/c1-6-7(2)10(4,5)8(3)9-6;/h1-5H3;1H2/q+1;/p-1.
What are the key properties of 1,1,2,4,5-pentamethylimidazol-1-ium hydroxide?
1,1,2,4,5-pentamethylimidazol-1-ium hydroxide has a molecular weight of 156.23 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,4,5-pentamethylimidazol-1-ium hydroxide is sourced from PubChem (CID 118235036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).