2-[(1-cyclohexylbenzimidazol-5-yl)hydrazinylidene]propanedinitrile

C16H16N6 — CID 169339138

IUPAC2-[(1-cyclohexylbenzimidazol-5-yl)hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc2c(c1)ncn2C1CCCCC1
InChIInChI=1S/C16H16N6/c17-9-13(10-18)21-20-12-6-7-16-15(8-12)19-11-22(16)14-4-2-1-3-5-14/h6-8,11,14,20H,1-5H2
InChIKeyXJWWUNIGLJTBQX-UHFFFAOYSA-N
MW292.35 g/mol
LogP3.36
Rot. Bonds3

About 2-[(1-cyclohexylbenzimidazol-5-yl)hydrazinylidene]propanedinitrile

2-[(1-cyclohexylbenzimidazol-5-yl)hydrazinylidene]propanedinitrile (PubChem CID 169339138) has the molecular formula C16H16N6 and a molecular weight of 292.35 g/mol. Its IUPAC name is 2-[(1-cyclohexylbenzimidazol-5-yl)hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(1-cyclohexylbenzimidazol-5-yl)hydrazinylidene]propanedinitrile
PubChem CID169339138
Molecular FormulaC16H16N6
Molecular Weight292.35 g/mol
Exact Mass292.14
IUPAC Name2-[(1-cyclohexylbenzimidazol-5-yl)hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc2c(c1)ncn2C1CCCCC1
InChIInChI=1S/C16H16N6/c17-9-13(10-18)21-20-12-6-7-16-15(8-12)19-11-22(16)14-4-2-1-3-5-14/h6-8,11,14,20H,1-5H2
InChIKeyXJWWUNIGLJTBQX-UHFFFAOYSA-N
XLogP3.36
TPSA89.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(1-cyclohexylbenzimidazol-5-yl)hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[(1-cyclohexylbenzimidazol-5-yl)hydrazinylidene]propanedinitrile (CID 169339138) is 2-[(1-cyclohexylbenzimidazol-5-yl)hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[(1-cyclohexylbenzimidazol-5-yl)hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[(1-cyclohexylbenzimidazol-5-yl)hydrazinylidene]propanedinitrile is N#CC(C#N)=NNc1ccc2c(c1)ncn2C1CCCCC1.
What is the InChIKey of 2-[(1-cyclohexylbenzimidazol-5-yl)hydrazinylidene]propanedinitrile?
The InChIKey is XJWWUNIGLJTBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6/c17-9-13(10-18)21-20-12-6-7-16-15(8-12)19-11-22(16)14-4-2-1-3-5-14/h6-8,11,14,20H,1-5H2.
What are the key properties of 2-[(1-cyclohexylbenzimidazol-5-yl)hydrazinylidene]propanedinitrile?
2-[(1-cyclohexylbenzimidazol-5-yl)hydrazinylidene]propanedinitrile has a molecular weight of 292.35 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclohexylbenzimidazol-5-yl)hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169339138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).