Chem 1 Carbamoyl 1h Benzimidazole Dsrpl

Compound 209
  CheckMol                        TMF02:r0:m0
MF=C8H7N3O MW=161.16
 12 13  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4925   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3266   -2.2387   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    1.2793   -2.2387   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4925   -3.7193   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.7125   -1.6109   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.9731   -4.0155   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.4975   -4.8209   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.7312   -2.7125   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -3.4469   -5.4369   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.9713   -6.2423   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.4519   -6.5384   -0.0000 C   0 00  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
  3  5 01  0  1  0  0
  3  6 01  0  1  0  0
  5  7 02  0  2  0  0
  5  8 01  0  1  0  0
  6  9 02  0  1  0  0
  7 10 01  0  1  0  0
  8 11 02  0  1  0  0
 10 12 02  0  1  0  0
  7  9 01  0  1  0  0
 11 12 01  0  1  0  0
M  END

1-Carbamoyl-1H-benzimidazole

₹ 0.00 0.00

Chemical Name - 1-Carbamoyl-1H-benzimidazole
Mol Weight - 161.164
Smiles - NC(n1c(cccc2)c2nc1)=O

Property Name	Property Value
Mol Name	1-Carbamoyl-1H-benzimidazole
Molweight	161.164
Monoisotopic Mass	161.058912
Clogp	0.8812
Clogs	-2.209
H Acceptors	4
H Donors	1
Total Surface Area	122.09
Relative Psa	0.378
Polar Surface Area	60.91
Druglikeness	2.02
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.58333
Molecular Flexibility	0.23328
Molecular Complexity	0.74239
Fragments	1
Non H Atoms	12
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	9
Amides	1
Aromatic Nitrogens	2
Smiles	NC(n1c(cccc2)c2nc1)=O
InChIKey	InChI=1S/C8H7N3O/c9-8(12)11-5-10-6-3-1-2-4-7(6)11/h1-5H,(H2,9,12)
InChI	JZRIIAYLOPWOHN-UHFFFAOYSA-N

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1 - 1-Carbamoyl-1H-benzimidazole
2 - 1-Carbamoyl-1H-benzimidazole

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1-Carbamoyl-1H-benzimidazole