2-[(E)-(4,5-dicyano-1H-imidazol-2-yl)diazenyl]-1H-imidazole-4,5-dicarbonitrile

C10H2N10 — CID 135840335

IUPAC2-[(E)-(4,5-dicyano-1H-imidazol-2-yl)diazenyl]-1H-imidazole-4,5-dicarbonitrile
SMILESN#Cc1nc(/N=N/c2nc(C#N)c(C#N)[nH]2)[nH]c1C#N
InChIInChI=1S/C10H2N10/c11-1-5-6(2-12)16-9(15-5)19-20-10-17-7(3-13)8(4-14)18-10/h(H,15,16)(H,17,18)/b20-19+
InChIKeyJQIIMYALPQHBCL-FMQUCBEESA-N
MW262.20 g/mol
LogP1.03
Rot. Bonds2

About 2-[(E)-(4,5-dicyano-1H-imidazol-2-yl)diazenyl]-1H-imidazole-4,5-dicarbonitrile

2-[(E)-(4,5-dicyano-1H-imidazol-2-yl)diazenyl]-1H-imidazole-4,5-dicarbonitrile (PubChem CID 135840335) has the molecular formula C10H2N10 and a molecular weight of 262.20 g/mol. Its IUPAC name is 2-[(E)-(4,5-dicyano-1H-imidazol-2-yl)diazenyl]-1H-imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name2-[(E)-(4,5-dicyano-1H-imidazol-2-yl)diazenyl]-1H-imidazole-4,5-dicarbonitrile
PubChem CID135840335
Molecular FormulaC10H2N10
Molecular Weight262.20 g/mol
Exact Mass262.05
IUPAC Name2-[(E)-(4,5-dicyano-1H-imidazol-2-yl)diazenyl]-1H-imidazole-4,5-dicarbonitrile
SMILESN#Cc1nc(/N=N/c2nc(C#N)c(C#N)[nH]2)[nH]c1C#N
InChIInChI=1S/C10H2N10/c11-1-5-6(2-12)16-9(15-5)19-20-10-17-7(3-13)8(4-14)18-10/h(H,15,16)(H,17,18)/b20-19+
InChIKeyJQIIMYALPQHBCL-FMQUCBEESA-N
XLogP1.03
TPSA177.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.20
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-phenyldiazenyl-1H-imidazole-4,5-dicarbonitrile
CID 136623282
2-[(4,5-dicyano-1H-imidazol-2-yl)diazenyl]-1H-imidazole-4,5-dicarboxylic acid
CID 152754128
2-methyl-1H-imidazole-4,5-dicarbonitrile
CID 3847698
2-(difluoromethyl)-1H-imidazole-4,5-dicarbonitrile
CID 67256645
2-nitro-1H-imidazole-4,5-dicarbonitrile
CID 71623821
4,5-dicyano-1H-imidazole-2-carboxylic acid
CID 68756293
2-[[pyridin-3-yl-(pyridin-2-yldiazenyl)methyl]diazenyl]-1H-imidazole-4,5-dicarbonitrile
CID 136648837
2-[[5-cyano-4-[[4-methyl-2,6-bis(2,4,6-trimethylanilino)-3-pyridinyl]diazenyl]-1H-imidazol-2-yl]diazenyl]-1H-imidazole-4,5-dicarbonitrile
CID 153162645
2-pentyl-1H-imidazole-4,5-dicarbonitrile
CID 66953159
2-[(1,3-diethyl-4-hydroxy-6-oxo-2-sulfanylidenepyrimidin-5-yl)methylideneamino]-1H-imidazole-4,5-dicarbonitrile
CID 149270667
1-(4,5-dicyano-1H-imidazol-2-yl)-3-methylurea
CID 71385666
1H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile
CID 90861504

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(4,5-dicyano-1H-imidazol-2-yl)diazenyl]-1H-imidazole-4,5-dicarbonitrile?
The IUPAC name of 2-[(E)-(4,5-dicyano-1H-imidazol-2-yl)diazenyl]-1H-imidazole-4,5-dicarbonitrile (CID 135840335) is 2-[(E)-(4,5-dicyano-1H-imidazol-2-yl)diazenyl]-1H-imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 2-[(E)-(4,5-dicyano-1H-imidazol-2-yl)diazenyl]-1H-imidazole-4,5-dicarbonitrile?
The canonical SMILES for 2-[(E)-(4,5-dicyano-1H-imidazol-2-yl)diazenyl]-1H-imidazole-4,5-dicarbonitrile is N#Cc1nc(/N=N/c2nc(C#N)c(C#N)[nH]2)[nH]c1C#N.
What is the InChIKey of 2-[(E)-(4,5-dicyano-1H-imidazol-2-yl)diazenyl]-1H-imidazole-4,5-dicarbonitrile?
The InChIKey is JQIIMYALPQHBCL-FMQUCBEESA-N. The full InChI is InChI=1S/C10H2N10/c11-1-5-6(2-12)16-9(15-5)19-20-10-17-7(3-13)8(4-14)18-10/h(H,15,16)(H,17,18)/b20-19+.
What are the key properties of 2-[(E)-(4,5-dicyano-1H-imidazol-2-yl)diazenyl]-1H-imidazole-4,5-dicarbonitrile?
2-[(E)-(4,5-dicyano-1H-imidazol-2-yl)diazenyl]-1H-imidazole-4,5-dicarbonitrile has a molecular weight of 262.20 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(4,5-dicyano-1H-imidazol-2-yl)diazenyl]-1H-imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 135840335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).