11-oxoisoindolo[2,1-a]benzimidazole-3-carboxylic acid

C15H8N2O3 — CID 818373

IUPAC11-oxoisoindolo[2,1-a]benzimidazole-3-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)-c1nc3ccccc3n1C2=O
InChIInChI=1S/C15H8N2O3/c18-14-9-6-5-8(15(19)20)7-10(9)13-16-11-3-1-2-4-12(11)17(13)14/h1-7H,(H,19,20)
InChIKeyVKTUBCRJUGVAEU-UHFFFAOYSA-N
MW264.24 g/mol
LogP2.40
Rot. Bonds1

About 11-oxoisoindolo[2,1-a]benzimidazole-3-carboxylic acid

11-oxoisoindolo[2,1-a]benzimidazole-3-carboxylic acid (PubChem CID 818373) has the molecular formula C15H8N2O3 and a molecular weight of 264.24 g/mol. Its IUPAC name is 11-oxoisoindolo[2,1-a]benzimidazole-3-carboxylic acid.

Molecular Properties

Compound Name11-oxoisoindolo[2,1-a]benzimidazole-3-carboxylic acid
PubChem CID818373
Molecular FormulaC15H8N2O3
Molecular Weight264.24 g/mol
Exact Mass264.05
IUPAC Name11-oxoisoindolo[2,1-a]benzimidazole-3-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)-c1nc3ccccc3n1C2=O
InChIInChI=1S/C15H8N2O3/c18-14-9-6-5-8(15(19)20)7-10(9)13-16-11-3-1-2-4-12(11)17(13)14/h1-7H,(H,19,20)
InChIKeyVKTUBCRJUGVAEU-UHFFFAOYSA-N
XLogP2.40
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 11-oxoisoindolo[2,1-a]benzimidazole-3-carboxylic acid?
The IUPAC name of 11-oxoisoindolo[2,1-a]benzimidazole-3-carboxylic acid (CID 818373) is 11-oxoisoindolo[2,1-a]benzimidazole-3-carboxylic acid.
What is the SMILES notation for 11-oxoisoindolo[2,1-a]benzimidazole-3-carboxylic acid?
The canonical SMILES for 11-oxoisoindolo[2,1-a]benzimidazole-3-carboxylic acid is O=C(O)c1ccc2c(c1)-c1nc3ccccc3n1C2=O.
What is the InChIKey of 11-oxoisoindolo[2,1-a]benzimidazole-3-carboxylic acid?
The InChIKey is VKTUBCRJUGVAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8N2O3/c18-14-9-6-5-8(15(19)20)7-10(9)13-16-11-3-1-2-4-12(11)17(13)14/h1-7H,(H,19,20).
What are the key properties of 11-oxoisoindolo[2,1-a]benzimidazole-3-carboxylic acid?
11-oxoisoindolo[2,1-a]benzimidazole-3-carboxylic acid has a molecular weight of 264.24 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxoisoindolo[2,1-a]benzimidazole-3-carboxylic acid is sourced from PubChem (CID 818373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).