2-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-1-methylpyridin-1-ium

C11H16N3+ — CID 58240315

IUPAC2-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-1-methylpyridin-1-ium
SMILESC[C@@H]1N(C)C=CN1c1cccc[n+]1C
InChIInChI=1S/C11H16N3/c1-10-12(2)8-9-14(10)11-6-4-5-7-13(11)3/h4-10H,1-3H3/q+1/t10-/m1/s1
InChIKeyIILUFFXXFYGIQS-SNVBAGLBSA-N
MW190.27 g/mol
LogP1.08
Rot. Bonds1

About 2-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-1-methylpyridin-1-ium

2-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-1-methylpyridin-1-ium (PubChem CID 58240315) has the molecular formula C11H16N3+ and a molecular weight of 190.27 g/mol. Its IUPAC name is 2-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-1-methylpyridin-1-ium.

Molecular Properties

Compound Name2-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-1-methylpyridin-1-ium
PubChem CID58240315
Molecular FormulaC11H16N3+
Molecular Weight190.27 g/mol
Exact Mass190.13
IUPAC Name2-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-1-methylpyridin-1-ium
SMILESC[C@@H]1N(C)C=CN1c1cccc[n+]1C
InChIInChI=1S/C11H16N3/c1-10-12(2)8-9-14(10)11-6-4-5-7-13(11)3/h4-10H,1-3H3/q+1/t10-/m1/s1
InChIKeyIILUFFXXFYGIQS-SNVBAGLBSA-N
XLogP1.08
TPSA10.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 51.08
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-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-1-methylpyridin-1-ium?
The IUPAC name of 2-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-1-methylpyridin-1-ium (CID 58240315) is 2-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-1-methylpyridin-1-ium.
What is the SMILES notation for 2-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-1-methylpyridin-1-ium?
The canonical SMILES for 2-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-1-methylpyridin-1-ium is C[C@@H]1N(C)C=CN1c1cccc[n+]1C.
What is the InChIKey of 2-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-1-methylpyridin-1-ium?
The InChIKey is IILUFFXXFYGIQS-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H16N3/c1-10-12(2)8-9-14(10)11-6-4-5-7-13(11)3/h4-10H,1-3H3/q+1/t10-/m1/s1.
What are the key properties of 2-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-1-methylpyridin-1-ium?
2-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-1-methylpyridin-1-ium has a molecular weight of 190.27 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-1-methylpyridin-1-ium is sourced from PubChem (CID 58240315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).