2-(1H-benzimidazol-4-ylhydrazinylidene)propanedinitrile

C10H6N6 — CID 169339086

IUPAC2-(1H-benzimidazol-4-ylhydrazinylidene)propanedinitrile
SMILESN#CC(C#N)=NNc1cccc2[nH]cnc12
InChIInChI=1S/C10H6N6/c11-4-7(5-12)15-16-9-3-1-2-8-10(9)14-6-13-8/h1-3,6,16H,(H,13,14)
InChIKeyROGDXWKOMUJXNJ-UHFFFAOYSA-N
MW210.20 g/mol
LogP1.38
Rot. Bonds2

About 2-(1H-benzimidazol-4-ylhydrazinylidene)propanedinitrile

2-(1H-benzimidazol-4-ylhydrazinylidene)propanedinitrile (PubChem CID 169339086) has the molecular formula C10H6N6 and a molecular weight of 210.20 g/mol. Its IUPAC name is 2-(1H-benzimidazol-4-ylhydrazinylidene)propanedinitrile.

Molecular Properties

Compound Name2-(1H-benzimidazol-4-ylhydrazinylidene)propanedinitrile
PubChem CID169339086
Molecular FormulaC10H6N6
Molecular Weight210.20 g/mol
Exact Mass210.07
IUPAC Name2-(1H-benzimidazol-4-ylhydrazinylidene)propanedinitrile
SMILESN#CC(C#N)=NNc1cccc2[nH]cnc12
InChIInChI=1S/C10H6N6/c11-4-7(5-12)15-16-9-3-1-2-8-10(9)14-6-13-8/h1-3,6,16H,(H,13,14)
InChIKeyROGDXWKOMUJXNJ-UHFFFAOYSA-N
XLogP1.38
TPSA100.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 51.38
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-4-ylhydrazinylidene)propanedinitrile?
The IUPAC name of 2-(1H-benzimidazol-4-ylhydrazinylidene)propanedinitrile (CID 169339086) is 2-(1H-benzimidazol-4-ylhydrazinylidene)propanedinitrile.
What is the SMILES notation for 2-(1H-benzimidazol-4-ylhydrazinylidene)propanedinitrile?
The canonical SMILES for 2-(1H-benzimidazol-4-ylhydrazinylidene)propanedinitrile is N#CC(C#N)=NNc1cccc2[nH]cnc12.
What is the InChIKey of 2-(1H-benzimidazol-4-ylhydrazinylidene)propanedinitrile?
The InChIKey is ROGDXWKOMUJXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N6/c11-4-7(5-12)15-16-9-3-1-2-8-10(9)14-6-13-8/h1-3,6,16H,(H,13,14).
What are the key properties of 2-(1H-benzimidazol-4-ylhydrazinylidene)propanedinitrile?
2-(1H-benzimidazol-4-ylhydrazinylidene)propanedinitrile has a molecular weight of 210.20 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-4-ylhydrazinylidene)propanedinitrile is sourced from PubChem (CID 169339086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).