2,2,3,4,5,5-hexamethyl-1H-imidazol-3-ium

C9H19N2+ — CID 67531452

IUPAC2,2,3,4,5,5-hexamethyl-1H-imidazol-3-ium
SMILESCC1=[N+](C)C(C)(C)NC1(C)C
InChIInChI=1S/C9H19N2/c1-7-8(2,3)10-9(4,5)11(7)6/h10H,1-6H3/q+1
InChIKeyNUOSNZULOBAERK-UHFFFAOYSA-N
MW155.26 g/mol
LogP1.21
Rot. Bonds

About 2,2,3,4,5,5-hexamethyl-1H-imidazol-3-ium

2,2,3,4,5,5-hexamethyl-1H-imidazol-3-ium (PubChem CID 67531452) has the molecular formula C9H19N2+ and a molecular weight of 155.26 g/mol. Its IUPAC name is 2,2,3,4,5,5-hexamethyl-1H-imidazol-3-ium.

Molecular Properties

Compound Name2,2,3,4,5,5-hexamethyl-1H-imidazol-3-ium
PubChem CID67531452
Molecular FormulaC9H19N2+
Molecular Weight155.26 g/mol
Exact Mass155.15
IUPAC Name2,2,3,4,5,5-hexamethyl-1H-imidazol-3-ium
SMILESCC1=[N+](C)C(C)(C)NC1(C)C
InChIInChI=1S/C9H19N2/c1-7-8(2,3)10-9(4,5)11(7)6/h10H,1-6H3/q+1
InChIKeyNUOSNZULOBAERK-UHFFFAOYSA-N
XLogP1.21
TPSA15.04 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.26
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,4,5,5-hexamethyl-1H-imidazol-3-ium?
The IUPAC name of 2,2,3,4,5,5-hexamethyl-1H-imidazol-3-ium (CID 67531452) is 2,2,3,4,5,5-hexamethyl-1H-imidazol-3-ium.
What is the SMILES notation for 2,2,3,4,5,5-hexamethyl-1H-imidazol-3-ium?
The canonical SMILES for 2,2,3,4,5,5-hexamethyl-1H-imidazol-3-ium is CC1=[N+](C)C(C)(C)NC1(C)C.
What is the InChIKey of 2,2,3,4,5,5-hexamethyl-1H-imidazol-3-ium?
The InChIKey is NUOSNZULOBAERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N2/c1-7-8(2,3)10-9(4,5)11(7)6/h10H,1-6H3/q+1.
What are the key properties of 2,2,3,4,5,5-hexamethyl-1H-imidazol-3-ium?
2,2,3,4,5,5-hexamethyl-1H-imidazol-3-ium has a molecular weight of 155.26 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4,5,5-hexamethyl-1H-imidazol-3-ium is sourced from PubChem (CID 67531452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).