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

C7H13N2+ — CID 147295703

IUPAC1,1,4,5-tetramethylimidazol-1-ium
SMILESCC1=C(C)[N+](C)(C)C=N1
InChIInChI=1S/C7H13N2/c1-6-7(2)9(3,4)5-8-6/h5H,1-4H3/q+1
InChIKeyDAUMIOFSNPWIMH-UHFFFAOYSA-N
MW125.19 g/mol
LogP1.36
Rot. Bonds

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

1,1,4,5-tetramethylimidazol-1-ium (PubChem CID 147295703) has the molecular formula C7H13N2+ and a molecular weight of 125.19 g/mol. Its IUPAC name is 1,1,4,5-tetramethylimidazol-1-ium.

Molecular Properties

Compound Name1,1,4,5-tetramethylimidazol-1-ium
PubChem CID147295703
Molecular FormulaC7H13N2+
Molecular Weight125.19 g/mol
Exact Mass125.11
IUPAC Name1,1,4,5-tetramethylimidazol-1-ium
SMILESCC1=C(C)[N+](C)(C)C=N1
InChIInChI=1S/C7H13N2/c1-6-7(2)9(3,4)5-8-6/h5H,1-4H3/q+1
InChIKeyDAUMIOFSNPWIMH-UHFFFAOYSA-N
XLogP1.36
TPSA12.36 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 ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3,4,5-tetramethyl-2H-imidazol-1-ium-2-ide
CID 5232550
N'-(3-fluorobut-2-en-2-yl)-N,N-dimethylmethanimidamide
CID 123973166
1,5-Dimethyl-2,4-dihydroimidazole-2,4-diide;tungsten
CID 20700577
3-but-2-en-2-yl-5-methyl-4H-imidazol-4-ide;yttrium
CID 58883704
1,5-dimethyl-4H-imidazol-4-ide;yttrium
CID 59915028
5-ethyl-1-methyl-4H-imidazol-4-ide;yttrium
CID 60087260
N,1,3,4,5-pentamethylimidazol-2-imine
CID 89449600
N-[(Z)-but-2-en-2-yl]-N,N'-dimethylmethanimidamide
CID 118900909
N,N'-dimethyl-N-prop-1-en-2-ylmethanimidamide
CID 129273605
N-[(E)-but-2-en-2-yl]-N,N'-dimethylmethanimidamide
CID 130311603
3,5-dimethyl-4H-imidazol-4-ide;yttrium
CID 144800684
2-(5-methyl-4H-imidazol-4-id-3-yl)ethylidenevanadium;tungsten;vanadium
CID 145561638

Frequently Asked Questions

What is the IUPAC name of 1,1,4,5-tetramethylimidazol-1-ium?
The IUPAC name of 1,1,4,5-tetramethylimidazol-1-ium (CID 147295703) is 1,1,4,5-tetramethylimidazol-1-ium.
What is the SMILES notation for 1,1,4,5-tetramethylimidazol-1-ium?
The canonical SMILES for 1,1,4,5-tetramethylimidazol-1-ium is CC1=C(C)[N+](C)(C)C=N1.
What is the InChIKey of 1,1,4,5-tetramethylimidazol-1-ium?
The InChIKey is DAUMIOFSNPWIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N2/c1-6-7(2)9(3,4)5-8-6/h5H,1-4H3/q+1.
What are the key properties of 1,1,4,5-tetramethylimidazol-1-ium?
1,1,4,5-tetramethylimidazol-1-ium has a molecular weight of 125.19 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,4,5-tetramethylimidazol-1-ium is sourced from PubChem (CID 147295703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).