1,3,4,5-tetramethyl-2H-imidazol-1-ium-2-ide

C7H12N2 — CID 5232550

IUPAC1,3,4,5-tetramethyl-2H-imidazol-1-ium-2-ide
SMILESCc1c(C)[n+](C)[c-]n1C
InChIInChI=1S/C7H12N2/c1-6-7(2)9(4)5-8(6)3/h1-4H3
InChIKeyQYECFYPTXHJTKF-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.27
Rot. Bonds

About 1,3,4,5-tetramethyl-2H-imidazol-1-ium-2-ide

1,3,4,5-tetramethyl-2H-imidazol-1-ium-2-ide (PubChem CID 5232550) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 1,3,4,5-tetramethyl-2H-imidazol-1-ium-2-ide.

Molecular Properties

Compound Name1,3,4,5-tetramethyl-2H-imidazol-1-ium-2-ide
PubChem CID5232550
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name1,3,4,5-tetramethyl-2H-imidazol-1-ium-2-ide
SMILESCc1c(C)[n+](C)[c-]n1C
InChIInChI=1S/C7H12N2/c1-6-7(2)9(4)5-8(6)3/h1-4H3
InChIKeyQYECFYPTXHJTKF-UHFFFAOYSA-N
XLogP0.27
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-diethyl-4,5-dimethyl-2H-imidazol-1-ium-2-ide
CID 10909768
4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide
CID 11043492
N,1,3,4,5-pentamethylimidazol-2-imine
CID 89449600
1-butan-2-yl-N,3,4,5-tetramethylimidazol-2-imine
CID 123735888
1,1,4,5-Tetramethylimidazol-1-ium
CID 147295703
4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide bromide
CID 11043491
1,3,4,5-Tetramethylimidazol-2-imine
CID 16105087
3,4,5-Trimethyl-1,2-dihydroimidazol-3-ium-2-ide
CID 57738604
4,5-dimethyl-N,1,3-tri(propan-2-yl)imidazol-2-imine
CID 101567113
N,4,5-trimethyl-1,3-di(propan-2-yl)imidazol-2-imine
CID 101567115
4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide;ruthenium(1+)
CID 177478515

Frequently Asked Questions

What is the IUPAC name of 1,3,4,5-tetramethyl-2H-imidazol-1-ium-2-ide?
The IUPAC name of 1,3,4,5-tetramethyl-2H-imidazol-1-ium-2-ide (CID 5232550) is 1,3,4,5-tetramethyl-2H-imidazol-1-ium-2-ide.
What is the SMILES notation for 1,3,4,5-tetramethyl-2H-imidazol-1-ium-2-ide?
The canonical SMILES for 1,3,4,5-tetramethyl-2H-imidazol-1-ium-2-ide is Cc1c(C)[n+](C)[c-]n1C.
What is the InChIKey of 1,3,4,5-tetramethyl-2H-imidazol-1-ium-2-ide?
The InChIKey is QYECFYPTXHJTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-6-7(2)9(4)5-8(6)3/h1-4H3.
What are the key properties of 1,3,4,5-tetramethyl-2H-imidazol-1-ium-2-ide?
1,3,4,5-tetramethyl-2H-imidazol-1-ium-2-ide has a molecular weight of 124.19 g/mol, XLogP of 0.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5-tetramethyl-2H-imidazol-1-ium-2-ide is sourced from PubChem (CID 5232550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).