1-methyl-2-(2-methyl-3-phenyl-2H-imidazol-1-yl)pyridin-1-ium

C16H18N3+ — CID 76712040

IUPAC1-methyl-2-(2-methyl-3-phenyl-2H-imidazol-1-yl)pyridin-1-ium
SMILESCC1N(c2ccccc2)C=CN1c1cccc[n+]1C
InChIInChI=1S/C16H18N3/c1-14-18(15-8-4-3-5-9-15)12-13-19(14)16-10-6-7-11-17(16)2/h3-14H,1-2H3/q+1
InChIKeyUTDWBPSVDHDBDN-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.65
Rot. Bonds2

About 1-methyl-2-(2-methyl-3-phenyl-2H-imidazol-1-yl)pyridin-1-ium

1-methyl-2-(2-methyl-3-phenyl-2H-imidazol-1-yl)pyridin-1-ium (PubChem CID 76712040) has the molecular formula C16H18N3+ and a molecular weight of 252.34 g/mol. Its IUPAC name is 1-methyl-2-(2-methyl-3-phenyl-2H-imidazol-1-yl)pyridin-1-ium.

Molecular Properties

Compound Name1-methyl-2-(2-methyl-3-phenyl-2H-imidazol-1-yl)pyridin-1-ium
PubChem CID76712040
Molecular FormulaC16H18N3+
Molecular Weight252.34 g/mol
Exact Mass252.15
IUPAC Name1-methyl-2-(2-methyl-3-phenyl-2H-imidazol-1-yl)pyridin-1-ium
SMILESCC1N(c2ccccc2)C=CN1c1cccc[n+]1C
InChIInChI=1S/C16H18N3/c1-14-18(15-8-4-3-5-9-15)12-13-19(14)16-10-6-7-11-17(16)2/h3-14H,1-2H3/q+1
InChIKeyUTDWBPSVDHDBDN-UHFFFAOYSA-N
XLogP2.65
TPSA10.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methyl-2-(2-methyl-3-phenyl-2H-imidazol-1-yl)pyridin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-1-methylpyridin-1-ium
CID 58240315
2-[(2R)-3-(2,6-dimethylphenyl)-2-methyl-2H-imidazol-1-yl]-1-methylpyridin-1-ium
CID 58240330
ethane;(2S)-2-methyl-1-(1-methylpyridin-1-ium-2-yl)-2H-pyrimidine
CID 91389448
(2R)-1,2-dimethyl-3-(1-methylpyridin-1-ium-2-yl)-2H-benzimidazole
CID 58240298
2-methyl-3-phenyl-2H-imidazole-1-carboxamide
CID 174435400
(2R)-1-(3-methoxy-2-methylphenyl)-2-methyl-3-phenyl-2H-imidazole
CID 138671010
6-methyl-5,7-bis(1-methylpyridin-1-ium-2-yl)indolo[2,3-b]carbazole
CID 177263990
2-(2,6-dimethylphenyl)-4,7-dimethyl-3-(1-methylpyridin-1-ium-2-yl)-1-phenyl-1,3,2-benzodiazaborole
CID 167400618
1,2-dimethyl-2,3-dihydroimidazo[1,2-a]pyridin-4-ium-3-olate
CID 58738750
CID 177128854
CID 177128854
11-methyl-10-(1-methylpyridin-1-ium-2-yl)-1,10-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene
CID 162296711
2-imidazol-1-yl-1-methylpyridin-1-ium
CID 19742632

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methyl-3-phenyl-2H-imidazol-1-yl)pyridin-1-ium?
The IUPAC name of 1-methyl-2-(2-methyl-3-phenyl-2H-imidazol-1-yl)pyridin-1-ium (CID 76712040) is 1-methyl-2-(2-methyl-3-phenyl-2H-imidazol-1-yl)pyridin-1-ium.
What is the SMILES notation for 1-methyl-2-(2-methyl-3-phenyl-2H-imidazol-1-yl)pyridin-1-ium?
The canonical SMILES for 1-methyl-2-(2-methyl-3-phenyl-2H-imidazol-1-yl)pyridin-1-ium is CC1N(c2ccccc2)C=CN1c1cccc[n+]1C.
What is the InChIKey of 1-methyl-2-(2-methyl-3-phenyl-2H-imidazol-1-yl)pyridin-1-ium?
The InChIKey is UTDWBPSVDHDBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N3/c1-14-18(15-8-4-3-5-9-15)12-13-19(14)16-10-6-7-11-17(16)2/h3-14H,1-2H3/q+1.
What are the key properties of 1-methyl-2-(2-methyl-3-phenyl-2H-imidazol-1-yl)pyridin-1-ium?
1-methyl-2-(2-methyl-3-phenyl-2H-imidazol-1-yl)pyridin-1-ium has a molecular weight of 252.34 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methyl-3-phenyl-2H-imidazol-1-yl)pyridin-1-ium is sourced from PubChem (CID 76712040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).