3-oxo-N-(2-oxobenzimidazol-5-yl)butanamide

C11H9N3O3 — CID 11776058

IUPAC3-oxo-N-(2-oxobenzimidazol-5-yl)butanamide
SMILESCC(=O)CC(=O)Nc1ccc2c(c1)=NC(=O)N=2
InChIInChI=1S/C11H9N3O3/c1-6(15)4-10(16)12-7-2-3-8-9(5-7)14-11(17)13-8/h2-3,5H,4H2,1H3,(H,12,16)
InChIKeyKQNZKBRSEJLVEO-UHFFFAOYSA-N
MW231.21 g/mol
LogP-0.02
Rot. Bonds3

About 3-oxo-N-(2-oxobenzimidazol-5-yl)butanamide

3-oxo-N-(2-oxobenzimidazol-5-yl)butanamide (PubChem CID 11776058) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 3-oxo-N-(2-oxobenzimidazol-5-yl)butanamide.

Molecular Properties

Compound Name3-oxo-N-(2-oxobenzimidazol-5-yl)butanamide
PubChem CID11776058
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name3-oxo-N-(2-oxobenzimidazol-5-yl)butanamide
SMILESCC(=O)CC(=O)Nc1ccc2c(c1)=NC(=O)N=2
InChIInChI=1S/C11H9N3O3/c1-6(15)4-10(16)12-7-2-3-8-9(5-7)14-11(17)13-8/h2-3,5H,4H2,1H3,(H,12,16)
InChIKeyKQNZKBRSEJLVEO-UHFFFAOYSA-N
XLogP-0.02
TPSA87.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(2-oxobenzimidazol-5-yl)butanamide?
The IUPAC name of 3-oxo-N-(2-oxobenzimidazol-5-yl)butanamide (CID 11776058) is 3-oxo-N-(2-oxobenzimidazol-5-yl)butanamide.
What is the SMILES notation for 3-oxo-N-(2-oxobenzimidazol-5-yl)butanamide?
The canonical SMILES for 3-oxo-N-(2-oxobenzimidazol-5-yl)butanamide is CC(=O)CC(=O)Nc1ccc2c(c1)=NC(=O)N=2.
What is the InChIKey of 3-oxo-N-(2-oxobenzimidazol-5-yl)butanamide?
The InChIKey is KQNZKBRSEJLVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c1-6(15)4-10(16)12-7-2-3-8-9(5-7)14-11(17)13-8/h2-3,5H,4H2,1H3,(H,12,16).
What are the key properties of 3-oxo-N-(2-oxobenzimidazol-5-yl)butanamide?
3-oxo-N-(2-oxobenzimidazol-5-yl)butanamide has a molecular weight of 231.21 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(2-oxobenzimidazol-5-yl)butanamide is sourced from PubChem (CID 11776058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).