6-[1,4-dimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]-2,3,5,7-tetramethylimidazo[1,2-a]imidazole

C22H27N5+2 — CID 140944313

IUPAC6-[1,4-dimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]-2,3,5,7-tetramethylimidazo[1,2-a]imidazole
SMILESCc1cc(-c2c(C)n3c(C)c(C)nc3n2C)[n+](C)c(-c2cccc[n+]2C)c1
InChIInChI=1S/C22H27N5/c1-14-12-19(18-10-8-9-11-24(18)5)25(6)20(13-14)21-17(4)27-16(3)15(2)23-22(27)26(21)7/h8-13H,1-7H3/q+2
InChIKeyCPKGEHBSZQXNLF-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.89
Rot. Bonds2

About 6-[1,4-dimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]-2,3,5,7-tetramethylimidazo[1,2-a]imidazole

6-[1,4-dimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]-2,3,5,7-tetramethylimidazo[1,2-a]imidazole (PubChem CID 140944313) has the molecular formula C22H27N5+2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 6-[1,4-dimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]-2,3,5,7-tetramethylimidazo[1,2-a]imidazole.

Molecular Properties

Compound Name6-[1,4-dimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]-2,3,5,7-tetramethylimidazo[1,2-a]imidazole
PubChem CID140944313
Molecular FormulaC22H27N5+2
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC Name6-[1,4-dimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]-2,3,5,7-tetramethylimidazo[1,2-a]imidazole
SMILESCc1cc(-c2c(C)n3c(C)c(C)nc3n2C)[n+](C)c(-c2cccc[n+]2C)c1
InChIInChI=1S/C22H27N5/c1-14-12-19(18-10-8-9-11-24(18)5)25(6)20(13-14)21-17(4)27-16(3)15(2)23-22(27)26(21)7/h8-13H,1-7H3/q+2
InChIKeyCPKGEHBSZQXNLF-UHFFFAOYSA-N
XLogP2.89
TPSA29.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2,6-bis(1-methylpyridin-1-ium-2-yl)pyridin-1-ium
CID 58150990
2-[1,3-dimethyl-6-[1-methyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-1,5-dimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazole;6-[6-(1,4-dimethylpyridin-1-ium-2-yl)-1,3,5-trimethylpyridin-1-ium-2-yl]-2,3,7-trimethylimidazo[1,2-a]imidazole;6-[6-(1,5-dimethylpyridin-1-ium-2-yl)-1,3,5-trimethylpyridin-1-ium-2-yl]-2,3,7-trimethylimidazo[1,2-a]imidazole;2,3,7-trimethyl-6-[1,3,5-trimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]imidazo[1,2-a]imidazole
CID 159780360
1-methyl-2-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium dichloride
CID 69331009
2-[6-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylpyridin-1-ium-2-yl]-1,3,5-trimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazole;1,3-dimethyl-2-[1-methyl-6-[1,3,5-trimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazol-2-yl]pyridin-1-ium-2-yl]benzimidazol-3-ium;1-methyl-3-[2-methyl-6-(trideuteriomethyl)phenyl]-2-[1-methyl-6-[1,3,5-trimethyl-6-(trideuteriomethyl)imidazo[1,2-a]imidazol-2-yl]pyridin-1-ium-2-yl]benzimidazol-1-ium;1,3,5-trimethyl-2-[1-methyl-6-[1-methyl-3-[2-methyl-6-(trideuteriomethyl)phenyl]imidazol-1-ium-2-yl]pyridin-1-ium-2-yl]-6-(trideuteriomethyl)imidazo[1,2-a]imidazole
CID 159373050
4-(methoxymethyl)-1-methyl-2,6-bis(1-methylpyridin-1-ium-2-yl)pyridin-1-ium
CID 169313124
2,4,6-tris(1-methylpyridin-1-ium-2-yl)-1,3,5-triazine triiodide
CID 153315437
2-[1,3-dimethyl-6-[1-methyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole
CID 157255805
2-[2,6-dimethyl-4-(trideuteriomethyl)phenyl]-1-methylpyridin-1-ium
CID 157062899
3,5-bis(1-methylpyridin-1-ium-2-yl)pyridine
CID 145493796
9-methyl-3-[1-methyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-3-yl]carbazole
CID 58435192
1-methyl-2-[1-methyl-3,5-bis(trifluoromethyl)pyrrol-2-yl]pyridin-1-ium
CID 59757557
1-methyl-2-(3-methyl-5-pyridin-2-ylphenyl)pyridin-1-ium
CID 145489374

Frequently Asked Questions

What is the IUPAC name of 6-[1,4-dimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]-2,3,5,7-tetramethylimidazo[1,2-a]imidazole?
The IUPAC name of 6-[1,4-dimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]-2,3,5,7-tetramethylimidazo[1,2-a]imidazole (CID 140944313) is 6-[1,4-dimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]-2,3,5,7-tetramethylimidazo[1,2-a]imidazole.
What is the SMILES notation for 6-[1,4-dimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]-2,3,5,7-tetramethylimidazo[1,2-a]imidazole?
The canonical SMILES for 6-[1,4-dimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]-2,3,5,7-tetramethylimidazo[1,2-a]imidazole is Cc1cc(-c2c(C)n3c(C)c(C)nc3n2C)[n+](C)c(-c2cccc[n+]2C)c1.
What is the InChIKey of 6-[1,4-dimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]-2,3,5,7-tetramethylimidazo[1,2-a]imidazole?
The InChIKey is CPKGEHBSZQXNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5/c1-14-12-19(18-10-8-9-11-24(18)5)25(6)20(13-14)21-17(4)27-16(3)15(2)23-22(27)26(21)7/h8-13H,1-7H3/q+2.
What are the key properties of 6-[1,4-dimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]-2,3,5,7-tetramethylimidazo[1,2-a]imidazole?
6-[1,4-dimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]-2,3,5,7-tetramethylimidazo[1,2-a]imidazole has a molecular weight of 361.49 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1,4-dimethyl-6-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium-2-yl]-2,3,5,7-tetramethylimidazo[1,2-a]imidazole is sourced from PubChem (CID 140944313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).