Chem 1h Benzodimidazole 12 Dicarbonitrile Dsrpl | Cheminformatics
2D Structure

1H-benzo[d]imidazole-1,2-dicarbonitrile


  • SKU Code: CH141361
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Chemical Name - 1H-benzo[d]imidazole-1,2-dicarbonitrile
Mol Weight - 168.159
Smiles - N#Cc1nc(cccc2)c2n1C#N
Property Name Property Value
Mol Name1H-benzo[d]imidazole-1,2-dicarbonitrile
Molweight168.159
Monoisotopic Mass168.043596
Clogp1.1703
Clogs-1.404
H Acceptors4
Total Surface Area139.24
Relative Psa0.3229
Polar Surface Area65.4
Druglikeness-3.6189
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.53846
Molecular Complexity0.7177
Fragments1
Non H Atoms13
Non Ch Atoms4
Electronegative Atoms4
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms9
Aromatic Nitrogens2
Basic Nitrogens1
SmilesN#Cc1nc(cccc2)c2n1C#N
InChIKeyInChI=1S/C9H4N4/c10-5-9-12-7-3-1-2-4-8(7)13(9)6-11/h1-4H
InChIKZXRUGYLXYSTSA-UHFFFAOYSA-N

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