2-(4-methyl-2-pyridinyl)-5-octyl-3H-imidazo[4,5-c]pyridin-5-ium

C20H27N4+ — CID 15083181

IUPAC2-(4-methyl-2-pyridinyl)-5-octyl-3H-imidazo[4,5-c]pyridin-5-ium
SMILESCCCCCCCC[n+]1ccc2nc(-c3cc(C)ccn3)[nH]c2c1
InChIInChI=1S/C20H26N4/c1-3-4-5-6-7-8-12-24-13-10-17-19(15-24)23-20(22-17)18-14-16(2)9-11-21-18/h9-11,13-15H,3-8,12H2,1-2H3/p+1
InChIKeyVFIJUTXEJWSZJP-UHFFFAOYSA-O
MW323.46 g/mol
LogP4.58
Rot. Bonds8

About 2-(4-methyl-2-pyridinyl)-5-octyl-3H-imidazo[4,5-c]pyridin-5-ium

2-(4-methyl-2-pyridinyl)-5-octyl-3H-imidazo[4,5-c]pyridin-5-ium (PubChem CID 15083181) has the molecular formula C20H27N4+ and a molecular weight of 323.46 g/mol. Its IUPAC name is 2-(4-methyl-2-pyridinyl)-5-octyl-3H-imidazo[4,5-c]pyridin-5-ium.

Molecular Properties

Compound Name2-(4-methyl-2-pyridinyl)-5-octyl-3H-imidazo[4,5-c]pyridin-5-ium
PubChem CID15083181
Molecular FormulaC20H27N4+
Molecular Weight323.46 g/mol
Exact Mass323.22
IUPAC Name2-(4-methyl-2-pyridinyl)-5-octyl-3H-imidazo[4,5-c]pyridin-5-ium
SMILESCCCCCCCC[n+]1ccc2nc(-c3cc(C)ccn3)[nH]c2c1
InChIInChI=1S/C20H26N4/c1-3-4-5-6-7-8-12-24-13-10-17-19(15-24)23-20(22-17)18-14-16(2)9-11-21-18/h9-11,13-15H,3-8,12H2,1-2H3/p+1
InChIKeyVFIJUTXEJWSZJP-UHFFFAOYSA-O
XLogP4.58
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
6-ethyl-2-(4-methyl-2-pyridinyl)-1H-pyrimidine-4-thione
CID 106476250
2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;chlororuthenium(1+);4-methyl-2-(4-methyl-2-pyridinyl)pyridine;chloride
CID 139238299
2-(4-hexadecyl-2-pyridinyl)-4-methylpyridine
CID 12820693
3-methyl-1-nonadecylpyridin-1-ium
CID 69388390
3,4-dimethyl-1-octylpyridin-1-ium
CID 69395845
2-[4-(4-dodecoxyphenyl)phenyl]-6-methyl-1H-benzimidazole
CID 102447965
3,4-dimethyl-1-octadecylpyridin-1-ium bromide
CID 86082407
2-tetradecylisoquinolin-2-ium bromide
CID 67228942
6-ethyl-2-(5-heptyl-2-pyridinyl)-1H-benzimidazole
CID 142677705
2-(4-methyl-2-pyridinyl)-4-[[4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]pyridine
CID 100986621
1-tetradecyl-4-[1-[4-[4-(1-tetradecylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]butyl]pyridin-1-ium-4-yl]pyridin-1-ium
CID 102224171

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-pyridinyl)-5-octyl-3H-imidazo[4,5-c]pyridin-5-ium?
The IUPAC name of 2-(4-methyl-2-pyridinyl)-5-octyl-3H-imidazo[4,5-c]pyridin-5-ium (CID 15083181) is 2-(4-methyl-2-pyridinyl)-5-octyl-3H-imidazo[4,5-c]pyridin-5-ium.
What is the SMILES notation for 2-(4-methyl-2-pyridinyl)-5-octyl-3H-imidazo[4,5-c]pyridin-5-ium?
The canonical SMILES for 2-(4-methyl-2-pyridinyl)-5-octyl-3H-imidazo[4,5-c]pyridin-5-ium is CCCCCCCC[n+]1ccc2nc(-c3cc(C)ccn3)[nH]c2c1.
What is the InChIKey of 2-(4-methyl-2-pyridinyl)-5-octyl-3H-imidazo[4,5-c]pyridin-5-ium?
The InChIKey is VFIJUTXEJWSZJP-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H26N4/c1-3-4-5-6-7-8-12-24-13-10-17-19(15-24)23-20(22-17)18-14-16(2)9-11-21-18/h9-11,13-15H,3-8,12H2,1-2H3/p+1.
What are the key properties of 2-(4-methyl-2-pyridinyl)-5-octyl-3H-imidazo[4,5-c]pyridin-5-ium?
2-(4-methyl-2-pyridinyl)-5-octyl-3H-imidazo[4,5-c]pyridin-5-ium has a molecular weight of 323.46 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-pyridinyl)-5-octyl-3H-imidazo[4,5-c]pyridin-5-ium is sourced from PubChem (CID 15083181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).