7-methyl-8-(1-methylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole

C18H16N3+ — CID 140889717

IUPAC7-methyl-8-(1-methylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole
SMILESCc1cc2nc3ccccn3c2cc1-c1cccc[n+]1C
InChIInChI=1S/C18H16N3/c1-13-11-15-17(21-10-6-4-8-18(21)19-15)12-14(13)16-7-3-5-9-20(16)2/h3-12H,1-2H3/q+1
InChIKeyVHYJNAQDOXAXKK-UHFFFAOYSA-N
MW274.35 g/mol
LogP3.29
Rot. Bonds1

About 7-methyl-8-(1-methylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole

7-methyl-8-(1-methylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole (PubChem CID 140889717) has the molecular formula C18H16N3+ and a molecular weight of 274.35 g/mol. Its IUPAC name is 7-methyl-8-(1-methylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole.

Molecular Properties

Compound Name7-methyl-8-(1-methylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole
PubChem CID140889717
Molecular FormulaC18H16N3+
Molecular Weight274.35 g/mol
Exact Mass274.13
IUPAC Name7-methyl-8-(1-methylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole
SMILESCc1cc2nc3ccccn3c2cc1-c1cccc[n+]1C
InChIInChI=1S/C18H16N3/c1-13-11-15-17(21-10-6-4-8-18(21)19-15)12-14(13)16-7-3-5-9-20(16)2/h3-12H,1-2H3/q+1
InChIKeyVHYJNAQDOXAXKK-UHFFFAOYSA-N
XLogP3.29
TPSA21.18 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 53.29
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

7-(1,4-dimethylpyridin-1-ium-2-yl)-8-methylpyrido[1,2-a]benzimidazole;7-(1,5-dimethylpyridin-1-ium-2-yl)-8-methylpyrido[1,2-a]benzimidazole;8-methyl-7-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole;8-methyl-7-(1-methylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole
CID 159829117
5-(2,4-dimethylphenyl)-4-methyl-1,8-diaza-4-azoniatricyclo[7.4.0.02,7]trideca-2,4,6,8,10,12-hexaene
CID 140889709
8-(1,5-dimethyl-4-propan-2-ylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;8-[4-(2,2-dimethylpropyl)-1,5-dimethylpyridin-1-ium-2-yl]-7-methylpyrido[1,2-a]benzimidazole;8-(1,4-dimethylpyridin-1-ium-2-yl)-7-methylpyrido[1,2-a]benzimidazole;7-methyl-8-[1-methyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]pyrido[1,2-a]benzimidazole;7-methyl-8-(1,4,5-trimethylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole
CID 158720676
4-methyl-3-(2-methylphenyl)-1,8-diaza-4-azoniatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene
CID 140889698
7-[4-(2-deuteriopropan-2-yl)-1-methylpyridin-1-ium-2-yl]-6-methylpyrido[1,2-a]benzimidazole
CID 140889661
9-methyl-8-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole
CID 140889679
1-methyl-2-(1,3,6-trimethyl-2,3-dihydro-1H-inden-5-yl)pyridin-1-ium
CID 177074990
8-methyl-9-(1-methylpyridin-1-ium-2-yl)benzo[h]quinoline
CID 158880760
5,12-dimethyl-13-(1-methylpyridin-1-ium-2-yl)-8,16-dioxa-6-azatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2(7),3,5,10(15),11,13-heptaene
CID 140828100
5-methyl-6-(2,3,5-trimethylphenyl)-1,8-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene
CID 140889657
1-methyl-2-(1,5,8,9,9,10,10,11,11-nonamethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyridin-1-ium
CID 140720316
5,6-dimethyl-2,9,11,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,9,12,14,16-octaene
CID 23257799

Frequently Asked Questions

What is the IUPAC name of 7-methyl-8-(1-methylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole?
The IUPAC name of 7-methyl-8-(1-methylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole (CID 140889717) is 7-methyl-8-(1-methylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole.
What is the SMILES notation for 7-methyl-8-(1-methylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole?
The canonical SMILES for 7-methyl-8-(1-methylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole is Cc1cc2nc3ccccn3c2cc1-c1cccc[n+]1C.
What is the InChIKey of 7-methyl-8-(1-methylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole?
The InChIKey is VHYJNAQDOXAXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N3/c1-13-11-15-17(21-10-6-4-8-18(21)19-15)12-14(13)16-7-3-5-9-20(16)2/h3-12H,1-2H3/q+1.
What are the key properties of 7-methyl-8-(1-methylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole?
7-methyl-8-(1-methylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole has a molecular weight of 274.35 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-8-(1-methylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole is sourced from PubChem (CID 140889717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).