2-[(2R)-3-(2,6-dimethylphenyl)-2-methyl-2H-imidazol-1-yl]-1-methylpyridin-1-ium

C18H22N3+ — CID 58240330

IUPAC2-[(2R)-3-(2,6-dimethylphenyl)-2-methyl-2H-imidazol-1-yl]-1-methylpyridin-1-ium
SMILESCc1cccc(C)c1N1C=CN(c2cccc[n+]2C)[C@@H]1C
InChIInChI=1S/C18H22N3/c1-14-8-7-9-15(2)18(14)21-13-12-20(16(21)3)17-10-5-6-11-19(17)4/h5-13,16H,1-4H3/q+1/t16-/m0/s1
InChIKeyIIPFFUOSGNDGDZ-INIZCTEOSA-N
MW280.39 g/mol
LogP3.27
Rot. Bonds2

About 2-[(2R)-3-(2,6-dimethylphenyl)-2-methyl-2H-imidazol-1-yl]-1-methylpyridin-1-ium

2-[(2R)-3-(2,6-dimethylphenyl)-2-methyl-2H-imidazol-1-yl]-1-methylpyridin-1-ium (PubChem CID 58240330) has the molecular formula C18H22N3+ and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-[(2R)-3-(2,6-dimethylphenyl)-2-methyl-2H-imidazol-1-yl]-1-methylpyridin-1-ium.

Molecular Properties

Compound Name2-[(2R)-3-(2,6-dimethylphenyl)-2-methyl-2H-imidazol-1-yl]-1-methylpyridin-1-ium
PubChem CID58240330
Molecular FormulaC18H22N3+
Molecular Weight280.39 g/mol
Exact Mass280.18
IUPAC Name2-[(2R)-3-(2,6-dimethylphenyl)-2-methyl-2H-imidazol-1-yl]-1-methylpyridin-1-ium
SMILESCc1cccc(C)c1N1C=CN(c2cccc[n+]2C)[C@@H]1C
InChIInChI=1S/C18H22N3/c1-14-8-7-9-15(2)18(14)21-13-12-20(16(21)3)17-10-5-6-11-19(17)4/h5-13,16H,1-4H3/q+1/t16-/m0/s1
InChIKeyIIPFFUOSGNDGDZ-INIZCTEOSA-N
XLogP3.27
TPSA10.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.27
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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Related Compounds

1-methyl-2-(2-methyl-3-phenyl-2H-imidazol-1-yl)pyridin-1-ium
CID 76712040
2-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-1-methylpyridin-1-ium
CID 58240315
6-methyl-5-(1-methylpyridin-1-ium-2-yl)-1,2-dihydro-1,5-benzodiazepine
CID 171436334
ethane;(2S)-2-methyl-1-(1-methylpyridin-1-ium-2-yl)-2H-pyrimidine
CID 91389448
2-(2,6-dimethylphenyl)-4,7-dimethyl-3-(1-methylpyridin-1-ium-2-yl)-1-phenyl-1,3,2-benzodiazaborole
CID 167400618
9-methyl-1-(1-methylpyridin-1-ium-2-yl)-3,5-dihydro-2H-4,1-benzoxazepine
CID 171436244
(2R)-1-(2,6-dimethylphenyl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole
CID 134371457
(2R)-1,2-dimethyl-3-(1-methylpyridin-1-ium-2-yl)-2H-benzimidazole
CID 58240298
2-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-1-methyl-6-(2-methylphenyl)pyridin-1-ium;(2S)-1,2-dimethyl-3-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]-2H-benzimidazole;1-methyl-2-[(2R)-2-methyl-3-(2-methylphenyl)-2H-imidazol-1-yl]pyridin-1-ium;1-methyl-2-[2-methyl-1-(2-methylphenyl)pyrazol-2-ium-3-yl]pyridin-1-ium;1-methyl-2-(2-methylphenyl)-6-(2-methylpyrazol-2-ium-1-yl)pyridin-1-ium;(2R)-2-methyl-1-(2-methylphenyl)-3-(1-methylpyridin-1-ium-2-yl)-2H-benzimidazole
CID 160960699
18-methyl-16-(1-methylpyridin-1-ium-2-yl)-14-phenyl-1,14,16-triaza-15-borapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,17,19,21-nonaene
CID 166589311
bis((2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole);(2S)-1-(2,6-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2S)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole
CID 160784637
2-(2,6-diphenylphenyl)-4-methyl-3-(1-methylpyridin-1-ium-2-yl)-1-phenyl-1,3,2-benzodiazaborole
CID 156667397

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-3-(2,6-dimethylphenyl)-2-methyl-2H-imidazol-1-yl]-1-methylpyridin-1-ium?
The IUPAC name of 2-[(2R)-3-(2,6-dimethylphenyl)-2-methyl-2H-imidazol-1-yl]-1-methylpyridin-1-ium (CID 58240330) is 2-[(2R)-3-(2,6-dimethylphenyl)-2-methyl-2H-imidazol-1-yl]-1-methylpyridin-1-ium.
What is the SMILES notation for 2-[(2R)-3-(2,6-dimethylphenyl)-2-methyl-2H-imidazol-1-yl]-1-methylpyridin-1-ium?
The canonical SMILES for 2-[(2R)-3-(2,6-dimethylphenyl)-2-methyl-2H-imidazol-1-yl]-1-methylpyridin-1-ium is Cc1cccc(C)c1N1C=CN(c2cccc[n+]2C)[C@@H]1C.
What is the InChIKey of 2-[(2R)-3-(2,6-dimethylphenyl)-2-methyl-2H-imidazol-1-yl]-1-methylpyridin-1-ium?
The InChIKey is IIPFFUOSGNDGDZ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22N3/c1-14-8-7-9-15(2)18(14)21-13-12-20(16(21)3)17-10-5-6-11-19(17)4/h5-13,16H,1-4H3/q+1/t16-/m0/s1.
What are the key properties of 2-[(2R)-3-(2,6-dimethylphenyl)-2-methyl-2H-imidazol-1-yl]-1-methylpyridin-1-ium?
2-[(2R)-3-(2,6-dimethylphenyl)-2-methyl-2H-imidazol-1-yl]-1-methylpyridin-1-ium has a molecular weight of 280.39 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-3-(2,6-dimethylphenyl)-2-methyl-2H-imidazol-1-yl]-1-methylpyridin-1-ium is sourced from PubChem (CID 58240330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).