2-[3-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2-methylphenyl]-1,4-dimethylpyridin-1-ium

C19H24N3+ — CID 123481215

IUPAC2-[3-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2-methylphenyl]-1,4-dimethylpyridin-1-ium
SMILESCc1cc[n+](C)c(-c2cccc(N3C=CN(C)[C@@H]3C)c2C)c1
InChIInChI=1S/C19H24N3/c1-14-9-10-21(5)19(13-14)17-7-6-8-18(15(17)2)22-12-11-20(4)16(22)3/h6-13,16H,1-5H3/q+1/t16-/m0/s1
InChIKeyFMNYXONXJFPHOF-INIZCTEOSA-N
MW294.42 g/mol
LogP3.36
Rot. Bonds2

About 2-[3-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2-methylphenyl]-1,4-dimethylpyridin-1-ium

2-[3-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2-methylphenyl]-1,4-dimethylpyridin-1-ium (PubChem CID 123481215) has the molecular formula C19H24N3+ and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-[3-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2-methylphenyl]-1,4-dimethylpyridin-1-ium.

Molecular Properties

Compound Name2-[3-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2-methylphenyl]-1,4-dimethylpyridin-1-ium
PubChem CID123481215
Molecular FormulaC19H24N3+
Molecular Weight294.42 g/mol
Exact Mass294.20
IUPAC Name2-[3-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2-methylphenyl]-1,4-dimethylpyridin-1-ium
SMILESCc1cc[n+](C)c(-c2cccc(N3C=CN(C)[C@@H]3C)c2C)c1
InChIInChI=1S/C19H24N3/c1-14-9-10-21(5)19(13-14)17-7-6-8-18(15(17)2)22-12-11-20(4)16(22)3/h6-13,16H,1-5H3/q+1/t16-/m0/s1
InChIKeyFMNYXONXJFPHOF-INIZCTEOSA-N
XLogP3.36
TPSA10.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.36
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

(2R)-1-[3-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2-methylphenyl]-2,3-dimethyl-2H-imidazole;(2R)-1,2-dimethyl-3-[2-methyl-3-(2-methylpyrazol-2-ium-1-yl)phenyl]-2H-imidazole;ethane
CID 158909155
2-[3-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2-methylphenyl]-1-methyl-3-phenylbenzimidazol-1-ium
CID 123181093
(2S)-2-methyl-1-[2-methyl-3-[2-(trideuteriomethyl)phenyl]phenyl]-3-(trideuteriomethyl)-2H-imidazole
CID 140920542
2-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-1-methylpyridin-1-ium
CID 58240315
2-(2,4-dimethylphenyl)-1,4-dimethylpyridin-1-ium
CID 123891405
(2S)-1,2-dimethyl-3-(2-methylphenanthren-1-yl)-2H-imidazole;1,4-dimethyl-2-(2-methylphenanthren-3-yl)pyridin-1-ium;1,5-dimethyl-2-(2-methylphenanthren-3-yl)pyridin-1-ium;1-methyl-2-(2-methylphenanthren-3-yl)pyridin-1-ium;1,4,5-trimethyl-2-(2-methylphenanthren-3-yl)pyridin-1-ium
CID 159036739
(2S)-1,2-dimethyl-3-(3,9,9-trimethylfluoren-2-yl)-2H-imidazole
CID 59747528
1-methyl-2-[2-methyl-3-(2H-pyridin-1-yl)phenyl]pyridin-1-ium
CID 170523863
(2R)-1-cyclopentyl-3-[3-[(2S)-3-cyclopentyl-2-methyl-2H-imidazol-1-yl]-2-methylphenyl]-2-methyl-2H-imidazole;(2S)-1-[3-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-2,4-dimethylphenyl]-2,3-dimethyl-2H-imidazole;(2S)-1-[3-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-2,5-dimethylphenyl]-2,3-dimethyl-2H-imidazole;(2R)-1-[3-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2-methylphenyl]-2,3-dimethyl-2H-imidazole;(2R)-2-methyl-1-[2-methyl-3-[(2S)-2-methyl-3-propan-2-yl-2H-imidazol-1-yl]phenyl]-3-propan-2-yl-2H-imidazole
CID 161047006
(2S)-1-[5,10-bis(2,6-dimethylphenyl)-1-methylboranthren-2-yl]-2,3-dimethyl-2H-imidazole
CID 153276187
2-[1-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-1-(2-methyl-3-phenylphenyl)ethyl]-1,3-dimethylimidazol-1-ium
CID 153276082
2-(2,4-dimethylphenyl)-1,4-dimethylpyridin-1-ium;2-(2,5-dimethylphenyl)-1,4-dimethylpyridin-1-ium;2-(2,6-dimethylphenyl)-1,4-dimethylpyridin-1-ium;2-(2,3-dimethylphenyl)-1-methyl-4-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-[2-methyl-4-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridin-1-ium;1-methyl-2-[2-methyl-5-(trideuteriomethyl)phenyl]-4-(trideuteriomethyl)pyridin-1-ium
CID 159163850

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2-methylphenyl]-1,4-dimethylpyridin-1-ium?
The IUPAC name of 2-[3-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2-methylphenyl]-1,4-dimethylpyridin-1-ium (CID 123481215) is 2-[3-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2-methylphenyl]-1,4-dimethylpyridin-1-ium.
What is the SMILES notation for 2-[3-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2-methylphenyl]-1,4-dimethylpyridin-1-ium?
The canonical SMILES for 2-[3-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2-methylphenyl]-1,4-dimethylpyridin-1-ium is Cc1cc[n+](C)c(-c2cccc(N3C=CN(C)[C@@H]3C)c2C)c1.
What is the InChIKey of 2-[3-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2-methylphenyl]-1,4-dimethylpyridin-1-ium?
The InChIKey is FMNYXONXJFPHOF-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N3/c1-14-9-10-21(5)19(13-14)17-7-6-8-18(15(17)2)22-12-11-20(4)16(22)3/h6-13,16H,1-5H3/q+1/t16-/m0/s1.
What are the key properties of 2-[3-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2-methylphenyl]-1,4-dimethylpyridin-1-ium?
2-[3-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2-methylphenyl]-1,4-dimethylpyridin-1-ium has a molecular weight of 294.42 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2-methylphenyl]-1,4-dimethylpyridin-1-ium is sourced from PubChem (CID 123481215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).