2-(1,3-dimethylimidazol-1-ium-2-yl)-1-ethyl-3-methylimidazol-3-ium

C11H18N4+2 — CID 91502560

IUPAC2-(1,3-dimethylimidazol-1-ium-2-yl)-1-ethyl-3-methylimidazol-3-ium
SMILESCCn1cc[n+](C)c1-c1n(C)cc[n+]1C
InChIInChI=1S/C11H18N4/c1-5-15-9-8-14(4)11(15)10-12(2)6-7-13(10)3/h6-9H,5H2,1-4H3/q+2
InChIKeyXLXYOCMOYFVXPU-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.16
Rot. Bonds2

About 2-(1,3-dimethylimidazol-1-ium-2-yl)-1-ethyl-3-methylimidazol-3-ium

2-(1,3-dimethylimidazol-1-ium-2-yl)-1-ethyl-3-methylimidazol-3-ium (PubChem CID 91502560) has the molecular formula C11H18N4+2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(1,3-dimethylimidazol-1-ium-2-yl)-1-ethyl-3-methylimidazol-3-ium.

Molecular Properties

Compound Name2-(1,3-dimethylimidazol-1-ium-2-yl)-1-ethyl-3-methylimidazol-3-ium
PubChem CID91502560
Molecular FormulaC11H18N4+2
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name2-(1,3-dimethylimidazol-1-ium-2-yl)-1-ethyl-3-methylimidazol-3-ium
SMILESCCn1cc[n+](C)c1-c1n(C)cc[n+]1C
InChIInChI=1S/C11H18N4/c1-5-15-9-8-14(4)11(15)10-12(2)6-7-13(10)3/h6-9H,5H2,1-4H3/q+2
InChIKeyXLXYOCMOYFVXPU-UHFFFAOYSA-N
XLogP0.16
TPSA17.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylimidazol-1-ium-2-yl)-1-ethyl-3-methylimidazol-3-ium?
The IUPAC name of 2-(1,3-dimethylimidazol-1-ium-2-yl)-1-ethyl-3-methylimidazol-3-ium (CID 91502560) is 2-(1,3-dimethylimidazol-1-ium-2-yl)-1-ethyl-3-methylimidazol-3-ium.
What is the SMILES notation for 2-(1,3-dimethylimidazol-1-ium-2-yl)-1-ethyl-3-methylimidazol-3-ium?
The canonical SMILES for 2-(1,3-dimethylimidazol-1-ium-2-yl)-1-ethyl-3-methylimidazol-3-ium is CCn1cc[n+](C)c1-c1n(C)cc[n+]1C.
What is the InChIKey of 2-(1,3-dimethylimidazol-1-ium-2-yl)-1-ethyl-3-methylimidazol-3-ium?
The InChIKey is XLXYOCMOYFVXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-5-15-9-8-14(4)11(15)10-12(2)6-7-13(10)3/h6-9H,5H2,1-4H3/q+2.
What are the key properties of 2-(1,3-dimethylimidazol-1-ium-2-yl)-1-ethyl-3-methylimidazol-3-ium?
2-(1,3-dimethylimidazol-1-ium-2-yl)-1-ethyl-3-methylimidazol-3-ium has a molecular weight of 206.29 g/mol, XLogP of 0.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylimidazol-1-ium-2-yl)-1-ethyl-3-methylimidazol-3-ium is sourced from PubChem (CID 91502560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).