2-(1,6-dimethylpyridin-1-ium-3-yl)-5-methyl-3H-imidazo[4,5-c]pyridin-5-ium

C14H16N4+2 — CID 15083169

IUPAC2-(1,6-dimethylpyridin-1-ium-3-yl)-5-methyl-3H-imidazo[4,5-c]pyridin-5-ium
SMILESCc1ccc(-c2nc3cc[n+](C)cc3[nH]2)c[n+]1C
InChIInChI=1S/C14H15N4/c1-10-4-5-11(8-18(10)3)14-15-12-6-7-17(2)9-13(12)16-14/h4-9H,1-3H3/q+1/p+1
InChIKeyVQINMPFLUFEIDJ-UHFFFAOYSA-O
MW240.31 g/mol
LogP1.19
Rot. Bonds1

About 2-(1,6-dimethylpyridin-1-ium-3-yl)-5-methyl-3H-imidazo[4,5-c]pyridin-5-ium

2-(1,6-dimethylpyridin-1-ium-3-yl)-5-methyl-3H-imidazo[4,5-c]pyridin-5-ium (PubChem CID 15083169) has the molecular formula C14H16N4+2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-(1,6-dimethylpyridin-1-ium-3-yl)-5-methyl-3H-imidazo[4,5-c]pyridin-5-ium.

Molecular Properties

Compound Name2-(1,6-dimethylpyridin-1-ium-3-yl)-5-methyl-3H-imidazo[4,5-c]pyridin-5-ium
PubChem CID15083169
Molecular FormulaC14H16N4+2
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name2-(1,6-dimethylpyridin-1-ium-3-yl)-5-methyl-3H-imidazo[4,5-c]pyridin-5-ium
SMILESCc1ccc(-c2nc3cc[n+](C)cc3[nH]2)c[n+]1C
InChIInChI=1S/C14H15N4/c1-10-4-5-11(8-18(10)3)14-15-12-6-7-17(2)9-13(12)16-14/h4-9H,1-3H3/q+1/p+1
InChIKeyVQINMPFLUFEIDJ-UHFFFAOYSA-O
XLogP1.19
TPSA36.44 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2-(4-methyl-2-pyridinyl)-3H-imidazo[4,5-c]pyridin-5-ium
CID 15083163
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CID 15644518
2-(1-methylpyridin-1-ium-3-yl)-6-nitro-1H-benzimidazole
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6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
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6-methoxy-2-(1-methylpyridin-1-ium-4-yl)-1H-benzimidazole iodide
CID 142671163
2,6-bis(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole
CID 59482293
6-methyl-2-(4-methylsulfonylphenyl)-1H-benzimidazole
CID 60979057
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
5-(6-fluoro-1H-benzimidazol-2-yl)-2-methylaniline
CID 54919597
2-methyl-5-(6-methylsulfonyl-1H-benzimidazol-2-yl)aniline
CID 62067932
2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxylic acid
CID 71243393
2-(1-propylpyridin-1-ium-3-yl)-1H-benzimidazole
CID 100817783

Frequently Asked Questions

What is the IUPAC name of 2-(1,6-dimethylpyridin-1-ium-3-yl)-5-methyl-3H-imidazo[4,5-c]pyridin-5-ium?
The IUPAC name of 2-(1,6-dimethylpyridin-1-ium-3-yl)-5-methyl-3H-imidazo[4,5-c]pyridin-5-ium (CID 15083169) is 2-(1,6-dimethylpyridin-1-ium-3-yl)-5-methyl-3H-imidazo[4,5-c]pyridin-5-ium.
What is the SMILES notation for 2-(1,6-dimethylpyridin-1-ium-3-yl)-5-methyl-3H-imidazo[4,5-c]pyridin-5-ium?
The canonical SMILES for 2-(1,6-dimethylpyridin-1-ium-3-yl)-5-methyl-3H-imidazo[4,5-c]pyridin-5-ium is Cc1ccc(-c2nc3cc[n+](C)cc3[nH]2)c[n+]1C.
What is the InChIKey of 2-(1,6-dimethylpyridin-1-ium-3-yl)-5-methyl-3H-imidazo[4,5-c]pyridin-5-ium?
The InChIKey is VQINMPFLUFEIDJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H15N4/c1-10-4-5-11(8-18(10)3)14-15-12-6-7-17(2)9-13(12)16-14/h4-9H,1-3H3/q+1/p+1.
What are the key properties of 2-(1,6-dimethylpyridin-1-ium-3-yl)-5-methyl-3H-imidazo[4,5-c]pyridin-5-ium?
2-(1,6-dimethylpyridin-1-ium-3-yl)-5-methyl-3H-imidazo[4,5-c]pyridin-5-ium has a molecular weight of 240.31 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,6-dimethylpyridin-1-ium-3-yl)-5-methyl-3H-imidazo[4,5-c]pyridin-5-ium is sourced from PubChem (CID 15083169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).