1-ethyl-2,4-dimethyl-1H-imidazol-1-ium

C7H13N2+ — CID 154083686

IUPAC1-ethyl-2,4-dimethyl-1H-imidazol-1-ium
SMILESCC[NH+]1C=C(C)N=C1C
InChIInChI=1S/C7H12N2/c1-4-9-5-6(2)8-7(9)3/h5H,4H2,1-3H3/p+1
InChIKeyATPYVOLOWWSAQG-UHFFFAOYSA-O
MW125.19 g/mol
LogP0.18
Rot. Bonds1

About 1-ethyl-2,4-dimethyl-1H-imidazol-1-ium

1-ethyl-2,4-dimethyl-1H-imidazol-1-ium (PubChem CID 154083686) has the molecular formula C7H13N2+ and a molecular weight of 125.19 g/mol. Its IUPAC name is 1-ethyl-2,4-dimethyl-1H-imidazol-1-ium.

Molecular Properties

Compound Name1-ethyl-2,4-dimethyl-1H-imidazol-1-ium
PubChem CID154083686
Molecular FormulaC7H13N2+
Molecular Weight125.19 g/mol
Exact Mass125.11
IUPAC Name1-ethyl-2,4-dimethyl-1H-imidazol-1-ium
SMILESCC[NH+]1C=C(C)N=C1C
InChIInChI=1S/C7H12N2/c1-4-9-5-6(2)8-7(9)3/h5H,4H2,1-3H3/p+1
InChIKeyATPYVOLOWWSAQG-UHFFFAOYSA-O
XLogP0.18
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.19
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-ethyl-4-methyl-1H-imidazol-1-ium-1-yl)propanenitrile
CID 21549849
2-ethyl-4-methyl-1H-imidazol-1-ium
CID 21549851
2-Methyl-5-methylidene-1,4-dihydroimidazole
CID 58059446
1,3,5-trimethyl-1H-imidazole-1,3-diium
CID 58187923
2,4-dimethyl-1-propyl-1H-imidazol-1-ium iodide
CID 66764410
2-methyl-1-propyl-1H-imidazol-1-ium iodide
CID 66825902
1,1,2,5-Tetramethylimidazol-1-ium
CID 67204801
2,4-dimethyl-1H-imidazol-1-ium chloride
CID 67915380
2-ethyl-4-methyl-1H-imidazol-1-ium bromide
CID 67927808
2-methyl-1-propan-2-yl-1H-imidazol-1-ium iodide
CID 69478128
1-methanidyl-2,5-dimethyl-1H-imidazol-1-ium
CID 87342972
1-methanidyl-2,4-dimethyl-1H-imidazol-1-ium
CID 87342975

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,4-dimethyl-1H-imidazol-1-ium?
The IUPAC name of 1-ethyl-2,4-dimethyl-1H-imidazol-1-ium (CID 154083686) is 1-ethyl-2,4-dimethyl-1H-imidazol-1-ium.
What is the SMILES notation for 1-ethyl-2,4-dimethyl-1H-imidazol-1-ium?
The canonical SMILES for 1-ethyl-2,4-dimethyl-1H-imidazol-1-ium is CC[NH+]1C=C(C)N=C1C.
What is the InChIKey of 1-ethyl-2,4-dimethyl-1H-imidazol-1-ium?
The InChIKey is ATPYVOLOWWSAQG-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H12N2/c1-4-9-5-6(2)8-7(9)3/h5H,4H2,1-3H3/p+1.
What are the key properties of 1-ethyl-2,4-dimethyl-1H-imidazol-1-ium?
1-ethyl-2,4-dimethyl-1H-imidazol-1-ium has a molecular weight of 125.19 g/mol, XLogP of 0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,4-dimethyl-1H-imidazol-1-ium is sourced from PubChem (CID 154083686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).