Chem 2 Methyl 5 Nitrobenzimidazole Dsrpl

Compound 243
  CheckMol                        TMF02:r0:m0
MF=C8H7N3O2 MW=177.16
 13 14  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119   -1.4973   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3310   -2.2460   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2834   -2.2460   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5787   -1.4855   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2715   -3.7433   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8741   -2.2222   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5669   -4.4920   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.3001   -1.7469   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    3.8622   -3.7196   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.1795   -2.9590   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.2882   -4.1712   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    7.6768   -2.9471   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5 02  0  1  0  0
  4  6 01  0  1  0  0
  5  7 01  0  1  0  0
  6  8 02  0  1  0  0
  7  9 01  0  1  0  0
  7 10 02  0  2  0  0
  9 11 01  0  1  0  0
 10 12 01  0  1  0  0
 11 13  1  0  0  0  0
  8 10 01  0  1  0  0
 11 12 02  0  1  0  0
M  CHG  1   2   1
M  CHG  1   3  -1
M  END

2-methyl-5-nitrobenzimidazole

₹ 0.00 0.00

Chemical Name - 2-methyl-5-nitrobenzimidazole
Mol Weight - 177.163
Smiles - Cc1nc(ccc([N+]([O-])=O)c2)c2[nH]1

Property Name	Property Value
Mol Name	2-methyl-5-nitrobenzimidazole
Molweight	177.163
Monoisotopic Mass	177.053827
Clogp	0.4006
Clogs	-1.915
H Acceptors	5
H Donors	1
Total Surface Area	132.12
Relative Psa	0.41916
Polar Surface Area	74.5
Druglikeness	-5.1237
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.61538
Molecular Flexibility	0.25907
Molecular Complexity	0.70181
Fragments	1
Non H Atoms	13
Non Ch Atoms	5
Electronegative Atoms	5
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	9
Sp3 Atoms	2
Aromatic Nitrogens	2
Basic Nitrogens	1
Acidic Oxygens	1
Smiles	Cc1nc(ccc([N+]([O-])=O)c2)c2[nH]1
InChIKey	InChI=1S/C8H7N3O2/c1-5-9-7-3-2-6(11(12)13)4-8(7)10-5/h2-4H,1H3,(H,9,10)
InChI	RKRXTVLCZDPERO-UHFFFAOYSA-N

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2-methyl-5-nitrobenzimidazole