9-methylpyrido[1,2-a]benzimidazole-8-carbaldehyde

C13H10N2O — CID 11264284

IUPAC9-methylpyrido[1,2-a]benzimidazole-8-carbaldehyde
SMILESCc1c(C=O)ccc2nc3ccccn3c12
InChIInChI=1S/C13H10N2O/c1-9-10(8-16)5-6-11-13(9)15-7-3-2-4-12(15)14-11/h2-8H,1H3
InChIKeyZTFAZTXVKHJQFC-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.61
Rot. Bonds1

About 9-methylpyrido[1,2-a]benzimidazole-8-carbaldehyde

9-methylpyrido[1,2-a]benzimidazole-8-carbaldehyde (PubChem CID 11264284) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 9-methylpyrido[1,2-a]benzimidazole-8-carbaldehyde.

Molecular Properties

Compound Name9-methylpyrido[1,2-a]benzimidazole-8-carbaldehyde
PubChem CID11264284
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name9-methylpyrido[1,2-a]benzimidazole-8-carbaldehyde
SMILESCc1c(C=O)ccc2nc3ccccn3c12
InChIInChI=1S/C13H10N2O/c1-9-10(8-16)5-6-11-13(9)15-7-3-2-4-12(15)14-11/h2-8H,1H3
InChIKeyZTFAZTXVKHJQFC-UHFFFAOYSA-N
XLogP2.61
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-methyl-8-(1-methyl-4-propan-2-ylpyridin-1-ium-2-yl)pyrido[1,2-a]benzimidazole
CID 140889679
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
2-(2-methylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 6991926
3-methyl-2-methylsulfonylpyrido[1,2-a]pyrimidin-4-one
CID 95564366
2-propan-2-ylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 76849577
(3-methylimidazo[1,2-a]pyridin-2-yl) formate
CID 134462968
3-bromoimidazo[1,2-a]pyridine-2-carbaldehyde
CID 2748881
3-(3-formyl-2-methylphenyl)-2-methylbenzaldehyde
CID 86188059
3,5-dimethyl-1,5,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaen-4-amine
CID 130322168
3-acetylimidazo[1,2-a]pyridine-2-carbaldehyde
CID 11240902
2-propan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 63803907
2-(3-methylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43478005

Frequently Asked Questions

What is the IUPAC name of 9-methylpyrido[1,2-a]benzimidazole-8-carbaldehyde?
The IUPAC name of 9-methylpyrido[1,2-a]benzimidazole-8-carbaldehyde (CID 11264284) is 9-methylpyrido[1,2-a]benzimidazole-8-carbaldehyde.
What is the SMILES notation for 9-methylpyrido[1,2-a]benzimidazole-8-carbaldehyde?
The canonical SMILES for 9-methylpyrido[1,2-a]benzimidazole-8-carbaldehyde is Cc1c(C=O)ccc2nc3ccccn3c12.
What is the InChIKey of 9-methylpyrido[1,2-a]benzimidazole-8-carbaldehyde?
The InChIKey is ZTFAZTXVKHJQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c1-9-10(8-16)5-6-11-13(9)15-7-3-2-4-12(15)14-11/h2-8H,1H3.
What are the key properties of 9-methylpyrido[1,2-a]benzimidazole-8-carbaldehyde?
9-methylpyrido[1,2-a]benzimidazole-8-carbaldehyde has a molecular weight of 210.24 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylpyrido[1,2-a]benzimidazole-8-carbaldehyde is sourced from PubChem (CID 11264284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).