1,1,2-trimethyl-4,5-dihydroimidazol-1-ium

C6H13N2+ — CID 20652627

IUPAC1,1,2-trimethyl-4,5-dihydroimidazol-1-ium
SMILESCC1=NCC[N+]1(C)C
InChIInChI=1S/C6H13N2/c1-6-7-4-5-8(6,2)3/h4-5H2,1-3H3/q+1
InChIKeyQZOHRKZGLNJRBK-UHFFFAOYSA-N
MW113.18 g/mol
LogP0.49
Rot. Bonds

About 1,1,2-trimethyl-4,5-dihydroimidazol-1-ium

1,1,2-trimethyl-4,5-dihydroimidazol-1-ium (PubChem CID 20652627) has the molecular formula C6H13N2+ and a molecular weight of 113.18 g/mol. Its IUPAC name is 1,1,2-trimethyl-4,5-dihydroimidazol-1-ium.

Molecular Properties

Compound Name1,1,2-trimethyl-4,5-dihydroimidazol-1-ium
PubChem CID20652627
Molecular FormulaC6H13N2+
Molecular Weight113.18 g/mol
Exact Mass113.11
IUPAC Name1,1,2-trimethyl-4,5-dihydroimidazol-1-ium
SMILESCC1=NCC[N+]1(C)C
InChIInChI=1S/C6H13N2/c1-6-7-4-5-8(6,2)3/h4-5H2,1-3H3/q+1
InChIKeyQZOHRKZGLNJRBK-UHFFFAOYSA-N
XLogP0.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.18
LogP ≤ 50.49
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-Ethyl-2-methylimidazoline
CID 10996989
2-(2-Methyl-4,5-dihydro-1H-imidazol-1-yl)ethan-1-amine
CID 246524
1,2,3-Trimethyl-4,5-dihydroimidazol-1-ium tetrafluoroborate
CID 499185
(1-methyl-4,5-dihydro-1H-imidazol-2-yl)methanamine dihydrochloride
CID 126796968
Ethyl imidazoline
CID 485092
3-(2-Methyl-4,5-dihydro-1H-imidazol-1-yl)propanenitrile
CID 12328383
1,2-Dimethyl-4,5-dihydro-1H-imidazole
CID 12762328
2-Isopropyl-1-methyl-4,5-dihydro-1h-imidazole
CID 20484726
Tetramethylimid azoline
CID 20496079
3-Dimethylamino-2h-azirine
CID 129786217
1,2,3-Trimethyl-4,5-dihydroimidazol-1-ium
CID 499186
1,2,3-Triethyl-4,5-dihydro-1H-imidazolium
CID 499188

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trimethyl-4,5-dihydroimidazol-1-ium?
The IUPAC name of 1,1,2-trimethyl-4,5-dihydroimidazol-1-ium (CID 20652627) is 1,1,2-trimethyl-4,5-dihydroimidazol-1-ium.
What is the SMILES notation for 1,1,2-trimethyl-4,5-dihydroimidazol-1-ium?
The canonical SMILES for 1,1,2-trimethyl-4,5-dihydroimidazol-1-ium is CC1=NCC[N+]1(C)C.
What is the InChIKey of 1,1,2-trimethyl-4,5-dihydroimidazol-1-ium?
The InChIKey is QZOHRKZGLNJRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N2/c1-6-7-4-5-8(6,2)3/h4-5H2,1-3H3/q+1.
What are the key properties of 1,1,2-trimethyl-4,5-dihydroimidazol-1-ium?
1,1,2-trimethyl-4,5-dihydroimidazol-1-ium has a molecular weight of 113.18 g/mol, XLogP of 0.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethyl-4,5-dihydroimidazol-1-ium is sourced from PubChem (CID 20652627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).