1,3,4,5-tetramethylimidazol-1-ium

C7H13N2+ — CID 5252105

IUPAC1,3,4,5-tetramethylimidazol-1-ium
SMILESCc1c(C)[n+](C)cn1C
InChIInChI=1S/C7H13N2/c1-6-7(2)9(4)5-8(6)3/h5H,1-4H3/q+1
InChIKeyNOBVKAMFUBMCCA-UHFFFAOYSA-N
MW125.19 g/mol
LogP0.47
Rot. Bonds

About 1,3,4,5-tetramethylimidazol-1-ium

1,3,4,5-tetramethylimidazol-1-ium (PubChem CID 5252105) has the molecular formula C7H13N2+ and a molecular weight of 125.19 g/mol. Its IUPAC name is 1,3,4,5-tetramethylimidazol-1-ium.

Molecular Properties

Compound Name1,3,4,5-tetramethylimidazol-1-ium
PubChem CID5252105
Molecular FormulaC7H13N2+
Molecular Weight125.19 g/mol
Exact Mass125.11
IUPAC Name1,3,4,5-tetramethylimidazol-1-ium
SMILESCc1c(C)[n+](C)cn1C
InChIInChI=1S/C7H13N2/c1-6-7(2)9(4)5-8(6)3/h5H,1-4H3/q+1
InChIKeyNOBVKAMFUBMCCA-UHFFFAOYSA-N
XLogP0.47
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.19
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,5-Dimethylimidazole
CID 139158
1,4-Dimethylimidazole
CID 138733
4,5-Dimethyl-1H-imidazole
CID 75306
1,2,4,5-Tetramethyl-1H-imidazole
CID 74444
1-Methyl-1H-imidazole-4,5-dicarbonitrile
CID 583268
1H-Imidazole, 2-nitro-1,4,5-trimethyl-
CID 201544
4-Bromo-1,5-dimethyl-1H-imidazole
CID 15639182
4,5-Dimethyl-1H-imidazole hydrochloride
CID 15556999
trimethyl-1H-imidazole-1-carbonitrile
CID 45087624
2-chloro-1,4,5-trimethyl-1H-imidazole
CID 17929113
1,4-dimethyl-1H-imidazol-5-amine
CID 45116671
5-bromo-1,4-dimethyl-1H-imidazole
CID 58641831

Frequently Asked Questions

What is the IUPAC name of 1,3,4,5-tetramethylimidazol-1-ium?
The IUPAC name of 1,3,4,5-tetramethylimidazol-1-ium (CID 5252105) is 1,3,4,5-tetramethylimidazol-1-ium.
What is the SMILES notation for 1,3,4,5-tetramethylimidazol-1-ium?
The canonical SMILES for 1,3,4,5-tetramethylimidazol-1-ium is Cc1c(C)[n+](C)cn1C.
What is the InChIKey of 1,3,4,5-tetramethylimidazol-1-ium?
The InChIKey is NOBVKAMFUBMCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N2/c1-6-7(2)9(4)5-8(6)3/h5H,1-4H3/q+1.
What are the key properties of 1,3,4,5-tetramethylimidazol-1-ium?
1,3,4,5-tetramethylimidazol-1-ium has a molecular weight of 125.19 g/mol, XLogP of 0.47, 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-tetramethylimidazol-1-ium is sourced from PubChem (CID 5252105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).