2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)hydrazinylidene]propanedinitrile

C10H6N6O — CID 56695424

IUPAC2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C10H6N6O/c11-4-7(5-12)16-15-6-1-2-8-9(3-6)14-10(17)13-8/h1-3,15H,(H2,13,14,17)
InChIKeyXBYLLMZCEVMLOL-UHFFFAOYSA-N
MW226.20 g/mol
LogP0.67
Rot. Bonds2

About 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)hydrazinylidene]propanedinitrile

2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)hydrazinylidene]propanedinitrile (PubChem CID 56695424) has the molecular formula C10H6N6O and a molecular weight of 226.20 g/mol. Its IUPAC name is 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)hydrazinylidene]propanedinitrile
PubChem CID56695424
Molecular FormulaC10H6N6O
Molecular Weight226.20 g/mol
Exact Mass226.06
IUPAC Name2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C10H6N6O/c11-4-7(5-12)16-15-6-1-2-8-9(3-6)14-10(17)13-8/h1-3,15H,(H2,13,14,17)
InChIKeyXBYLLMZCEVMLOL-UHFFFAOYSA-N
XLogP0.67
TPSA120.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)hydrazinylidene]propanedinitrile 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 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)hydrazinylidene]propanedinitrile (CID 56695424) is 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)hydrazinylidene]propanedinitrile is N#CC(C#N)=NNc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)hydrazinylidene]propanedinitrile?
The InChIKey is XBYLLMZCEVMLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N6O/c11-4-7(5-12)16-15-6-1-2-8-9(3-6)14-10(17)13-8/h1-3,15H,(H2,13,14,17).
What are the key properties of 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)hydrazinylidene]propanedinitrile?
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)hydrazinylidene]propanedinitrile has a molecular weight of 226.20 g/mol, XLogP of 0.67, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)hydrazinylidene]propanedinitrile is sourced from PubChem (CID 56695424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).