1,2,4-trimethyl-1H-imidazol-1-ium

C6H11N2+ — CID 149435307

IUPAC1,2,4-trimethyl-1H-imidazol-1-ium
SMILESCC1=C[NH+](C)C(C)=N1
InChIInChI=1S/C6H10N2/c1-5-4-8(3)6(2)7-5/h4H,1-3H3/p+1
InChIKeyAGMJWUBJIPQHBM-UHFFFAOYSA-O
MW111.17 g/mol
LogP-0.21
Rot. Bonds

About 1,2,4-trimethyl-1H-imidazol-1-ium

1,2,4-trimethyl-1H-imidazol-1-ium (PubChem CID 149435307) has the molecular formula C6H11N2+ and a molecular weight of 111.17 g/mol. Its IUPAC name is 1,2,4-trimethyl-1H-imidazol-1-ium.

Molecular Properties

Compound Name1,2,4-trimethyl-1H-imidazol-1-ium
PubChem CID149435307
Molecular FormulaC6H11N2+
Molecular Weight111.17 g/mol
Exact Mass111.09
IUPAC Name1,2,4-trimethyl-1H-imidazol-1-ium
SMILESCC1=C[NH+](C)C(C)=N1
InChIInChI=1S/C6H10N2/c1-5-4-8(3)6(2)7-5/h4H,1-3H3/p+1
InChIKeyAGMJWUBJIPQHBM-UHFFFAOYSA-O
XLogP-0.21
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.17
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,3-trimethyl-1H-imidazole-1,3-diium
CID 20652611
1-methanidyl-4-methyl-1H-imidazol-1-ium
CID 21353566
2-ethyl-4-methyl-1H-imidazol-1-ium
CID 21549851
1-methanidyl-2-methyl-1H-imidazol-1-ium
CID 57868272
1,3,5-trimethyl-1H-imidazole-1,3-diium
CID 58187923
1,4-dimethyl-1H-imidazol-1-ium
CID 59889377
2,4-dimethyl-1-propyl-1H-imidazol-1-ium iodide
CID 66764410
1,1,2,4-Tetramethylimidazol-1-ium
CID 67205164
2,4-dimethyl-1H-imidazol-1-ium chloride
CID 67915380
2-ethyl-4-methyl-1H-imidazol-1-ium bromide
CID 67927808
N'-methyl-N-[(Z)-prop-1-enyl]ethanimidamide
CID 87171545
1-methanidyl-2,5-dimethyl-1H-imidazol-1-ium
CID 87342972

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trimethyl-1H-imidazol-1-ium?
The IUPAC name of 1,2,4-trimethyl-1H-imidazol-1-ium (CID 149435307) is 1,2,4-trimethyl-1H-imidazol-1-ium.
What is the SMILES notation for 1,2,4-trimethyl-1H-imidazol-1-ium?
The canonical SMILES for 1,2,4-trimethyl-1H-imidazol-1-ium is CC1=C[NH+](C)C(C)=N1.
What is the InChIKey of 1,2,4-trimethyl-1H-imidazol-1-ium?
The InChIKey is AGMJWUBJIPQHBM-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H10N2/c1-5-4-8(3)6(2)7-5/h4H,1-3H3/p+1.
What are the key properties of 1,2,4-trimethyl-1H-imidazol-1-ium?
1,2,4-trimethyl-1H-imidazol-1-ium has a molecular weight of 111.17 g/mol, XLogP of -0.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethyl-1H-imidazol-1-ium is sourced from PubChem (CID 149435307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).