3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carboxylic acid

C13H10N2O3 — CID 780421

IUPAC3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carboxylic acid
SMILESCc1cc(=O)n2c([nH]c3ccccc32)c1C(=O)O
InChIInChI=1S/C13H10N2O3/c1-7-6-10(16)15-9-5-3-2-4-8(9)14-12(15)11(7)13(17)18/h2-6,14H,1H3,(H,17,18)
InChIKeyUAIABVTUBWSJNN-UHFFFAOYSA-N
MW242.23 g/mol
LogP1.79
Rot. Bonds1

About 3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carboxylic acid

3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carboxylic acid (PubChem CID 780421) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carboxylic acid
PubChem CID780421
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carboxylic acid
SMILESCc1cc(=O)n2c([nH]c3ccccc32)c1C(=O)O
InChIInChI=1S/C13H10N2O3/c1-7-6-10(16)15-9-5-3-2-4-8(9)14-12(15)11(7)13(17)18/h2-6,14H,1H3,(H,17,18)
InChIKeyUAIABVTUBWSJNN-UHFFFAOYSA-N
XLogP1.79
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carboxylic acid?
The IUPAC name of 3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carboxylic acid (CID 780421) is 3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carboxylic acid.
What is the SMILES notation for 3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carboxylic acid?
The canonical SMILES for 3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carboxylic acid is Cc1cc(=O)n2c([nH]c3ccccc32)c1C(=O)O.
What is the InChIKey of 3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carboxylic acid?
The InChIKey is UAIABVTUBWSJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c1-7-6-10(16)15-9-5-3-2-4-8(9)14-12(15)11(7)13(17)18/h2-6,14H,1H3,(H,17,18).
What are the key properties of 3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carboxylic acid?
3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carboxylic acid has a molecular weight of 242.23 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carboxylic acid is sourced from PubChem (CID 780421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).