Chem 1 Triphenylstannyl 1h Benzodimidazole Dsrpl

Compound 406
  CheckMol                        TMF02:r0:m0
MF=C25H20N2Sn MW=467.14
 28 32  0  6  0               999 V2000
    0.0000   -0.0000   -0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125    1.5444   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    1.3077   -0.7473   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0125   -1.5194   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3326   -0.7473   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.2579    2.4535   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2081    2.4535   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.6315   -2.0924   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.6154    0.0249   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.1583   -2.2792   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.1334   -2.3539   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6653    0.0249   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.7187   -2.3165   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.7971    3.9232   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.7649    2.1422   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.7224    3.9232   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    2.6030   -3.0140   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.9232   -0.7224   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3700   -3.7862   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2953   -3.7862   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9979   -0.7224   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6777   -3.0140   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.8308    5.0690   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.7986    3.2880   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.9107   -2.2418   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0623   -4.5334   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.0103   -2.2418   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.3378    4.7576   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6 01  0  1  0  0
  2  7 01  0  1  0  0
  3  8 02  0  1  0  0
  3  9 01  0  1  0  0
  4 10 02  0  1  0  0
  4 11 01  0  1  0  0
  5 12 02  0  1  0  0
  5 13 01  0  1  0  0
  6 14 02  0  2  0  0
  6 15 01  0  1  0  0
  7 16 02  0  1  0  0
  8 17 01  0  1  0  0
  9 18 02  0  1  0  0
 10 19 01  0  1  0  0
 11 20 02  0  1  0  0
 12 21 01  0  1  0  0
 13 22 02  0  1  0  0
 14 23 01  0  1  0  0
 15 24 02  0  1  0  0
 17 25 02  0  1  0  0
 19 26 02  0  1  0  0
 21 27 02  0  1  0  0
 23 28 02  0  1  0  0
 14 16 01  0  1  0  0
 18 25 01  0  1  0  0
 20 26 01  0  1  0  0
 22 27 01  0  1  0  0
 24 28 01  0  1  0  0
M  END

1-(triphenylstannyl)-1H-benzo[d]imidazole

₹ 0.00 0.00

Chemical Name - 1-(triphenylstannyl)-1H-benzo[d]imidazole
Mol Weight - 467.158
Smiles - c1nc(cccc2)c2n1[Sn](c1ccccc1)(c1ccccc1)c1ccccc1

Property Name	Property Value
Mol Name	1-(triphenylstannyl)-1H-benzo[d]imidazole
Molweight	467.158
Monoisotopic Mass	468.064848
Clogp	5.0489
Clogs	-6.926
H Acceptors	2
Total Surface Area	288.6
Relative Psa	0.061816
Polar Surface Area	17.82
Druglikeness	-2.0494
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	low
Shape Index	0.35714
Molecular Flexibility	0.37459
Molecular Complexity	0.76182
Fragments	1
Non H Atoms	28
Non Ch Atoms	3
Metal Atoms	1
Electronegative Atoms	2
Rotatable Bonds	4
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	27
Symmetric Atoms	14
Aromatic Nitrogens	2
Basic Nitrogens	1
Smiles	c1nc(cccc2)c2n1[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey	InChI=1S/C7H5N2.3C6H5.Sn/c1-2-4-7-6(3-1)8-5-9-7;31-2-4-6-5-3-1;/h1-5H;31-5H;/q-1;;;;+1
InChI	HKMIHQPZBBCFJA-UHFFFAOYSA-N

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1 - 1-(triphenylstannyl)-1H-benzo[d]imidazole
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1-(triphenylstannyl)-1H-benzo[d]imidazole