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

C7H12N2 — CID 20775680

IUPAC1,2,3,5-tetramethyl-4H-imidazol-3-ium-4-ide
SMILESCc1[c-][n+](C)c(C)n1C
InChIInChI=1S/C7H12N2/c1-6-5-8(3)7(2)9(6)4/h1-4H3
InChIKeyGREQBIDLANVSDU-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.27
Rot. Bonds

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

1,2,3,5-tetramethyl-4H-imidazol-3-ium-4-ide (PubChem CID 20775680) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 1,2,3,5-tetramethyl-4H-imidazol-3-ium-4-ide.

Molecular Properties

Compound Name1,2,3,5-tetramethyl-4H-imidazol-3-ium-4-ide
PubChem CID20775680
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name1,2,3,5-tetramethyl-4H-imidazol-3-ium-4-ide
SMILESCc1[c-][n+](C)c(C)n1C
InChIInChI=1S/C7H12N2/c1-6-5-8(3)7(2)9(6)4/h1-4H3
InChIKeyGREQBIDLANVSDU-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

1,1,2,4,5-Pentamethylimidazol-1-ium
CID 17775515
1,2,4,6-Tetramethylpyrimidine
CID 53690490
1,2,5-trimethyl-4H-imidazol-4-ide;yttrium
CID 58130771
2,5-dimethyl-1-propan-2-yl-4H-imidazol-4-ide;yttrium
CID 58719482
rubidium(1+);2,3,5-trimethyl-4H-imidazol-4-ide
CID 59242000
ruthenium(1+);1,2,3,5-tetramethyl-4H-imidazol-3-ium-4-ide
CID 59997625
1,1,2,5-Tetramethylimidazol-1-ium
CID 67204801
1,1,2,4,5-Pentamethylimidazol-1-ium hydroxide
CID 118235036
N,N'-dimethyl-N-prop-1-en-2-ylethanimidamide
CID 125510032
1,2-Dimethyl-4,5-dimethylideneimidazole
CID 135128795
2,3,5-trimethyl-4H-imidazol-4-ide;tungsten
CID 153560636
(2,5-dimethyl-4H-imidazol-4-id-1-yl)methanamine;yttrium
CID 160417086

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetramethyl-4H-imidazol-3-ium-4-ide?
The IUPAC name of 1,2,3,5-tetramethyl-4H-imidazol-3-ium-4-ide (CID 20775680) is 1,2,3,5-tetramethyl-4H-imidazol-3-ium-4-ide.
What is the SMILES notation for 1,2,3,5-tetramethyl-4H-imidazol-3-ium-4-ide?
The canonical SMILES for 1,2,3,5-tetramethyl-4H-imidazol-3-ium-4-ide is Cc1[c-][n+](C)c(C)n1C.
What is the InChIKey of 1,2,3,5-tetramethyl-4H-imidazol-3-ium-4-ide?
The InChIKey is GREQBIDLANVSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-6-5-8(3)7(2)9(6)4/h1-4H3.
What are the key properties of 1,2,3,5-tetramethyl-4H-imidazol-3-ium-4-ide?
1,2,3,5-tetramethyl-4H-imidazol-3-ium-4-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 1,2,3,5-tetramethyl-4H-imidazol-3-ium-4-ide is sourced from PubChem (CID 20775680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).