N-(2-oxobenzimidazol-4-yl)butanamide

C11H11N3O2 — CID 66653358

IUPACN-(2-oxobenzimidazol-4-yl)butanamide
SMILESCCCC(=O)Nc1cccc2c1=NC(=O)N=2
InChIInChI=1S/C11H11N3O2/c1-2-4-9(15)12-7-5-3-6-8-10(7)14-11(16)13-8/h3,5-6H,2,4H2,1H3,(H,12,15)
InChIKeyNGFZHISLBXYBEQ-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.80
Rot. Bonds3

About N-(2-oxobenzimidazol-4-yl)butanamide

N-(2-oxobenzimidazol-4-yl)butanamide (PubChem CID 66653358) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is N-(2-oxobenzimidazol-4-yl)butanamide.

Molecular Properties

Compound NameN-(2-oxobenzimidazol-4-yl)butanamide
PubChem CID66653358
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC NameN-(2-oxobenzimidazol-4-yl)butanamide
SMILESCCCC(=O)Nc1cccc2c1=NC(=O)N=2
InChIInChI=1S/C11H11N3O2/c1-2-4-9(15)12-7-5-3-6-8-10(7)14-11(16)13-8/h3,5-6H,2,4H2,1H3,(H,12,15)
InChIKeyNGFZHISLBXYBEQ-UHFFFAOYSA-N
XLogP0.80
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-oxobenzimidazol-4-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-oxobenzimidazol-4-yl)butanamide?
The IUPAC name of N-(2-oxobenzimidazol-4-yl)butanamide (CID 66653358) is N-(2-oxobenzimidazol-4-yl)butanamide.
What is the SMILES notation for N-(2-oxobenzimidazol-4-yl)butanamide?
The canonical SMILES for N-(2-oxobenzimidazol-4-yl)butanamide is CCCC(=O)Nc1cccc2c1=NC(=O)N=2.
What is the InChIKey of N-(2-oxobenzimidazol-4-yl)butanamide?
The InChIKey is NGFZHISLBXYBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-2-4-9(15)12-7-5-3-6-8-10(7)14-11(16)13-8/h3,5-6H,2,4H2,1H3,(H,12,15).
What are the key properties of N-(2-oxobenzimidazol-4-yl)butanamide?
N-(2-oxobenzimidazol-4-yl)butanamide has a molecular weight of 217.23 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxobenzimidazol-4-yl)butanamide is sourced from PubChem (CID 66653358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).