Chem 1h Benzodimidazole 12 Dicarbonitrile Dsrpl

Compound 211
  CheckMol                        TMF02:r0:m0
MF=C9H4N4 MW=168.16
 13 14  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2094   -0.8774   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4188   -1.7548   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    2.4069   -3.2487   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8416   -1.2805   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8297   -3.6993   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    1.1738   -4.1261   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7190   -2.4899   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.4463    0.1067   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0593   -5.0035   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2011   -2.3239   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.9284    0.2727   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.8058   -0.9367   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4 01  0  1  0  0
  3  5 01  0  1  0  0
  4  6 02  0  1  0  0
  4  7  1  0  0  0  0
  5  8 02  0  2  0  0
  5  9 01  0  1  0  0
  7 10  3  0  0  0  0
  8 11 01  0  1  0  0
  9 12 02  0  1  0  0
 11 13 02  0  1  0  0
  6  8 01  0  1  0  0
 12 13 01  0  1  0  0
M  END

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

₹ 0.00 0.00

Chemical Name - 1H-benzo[d]imidazole-1,2-dicarbonitrile
Mol Weight - 168.159
Smiles - N#Cc1nc(cccc2)c2n1C#N

Property Name	Property Value
Mol Name	1H-benzo[d]imidazole-1,2-dicarbonitrile
Molweight	168.159
Monoisotopic Mass	168.043596
Clogp	1.1703
Clogs	-1.404
H Acceptors	4
Total Surface Area	139.24
Relative Psa	0.3229
Polar Surface Area	65.4
Druglikeness	-3.6189
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.53846
Molecular Complexity	0.7177
Fragments	1
Non H Atoms	13
Non Ch Atoms	4
Electronegative Atoms	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	9
Aromatic Nitrogens	2
Basic Nitrogens	1
Smiles	N#Cc1nc(cccc2)c2n1C#N
InChIKey	InChI=1S/C9H4N4/c10-5-9-12-7-3-1-2-4-8(7)13(9)6-11/h1-4H
InChI	KZXRUGYLXYSTSA-UHFFFAOYSA-N

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

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