Chem 2 Methyl 5 Nitrobenzimidazole Dsrpl | Cheminformatics
2D Structure

2-methyl-5-nitrobenzimidazole


  • SKU Code: CH141391
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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 Name2-methyl-5-nitrobenzimidazole
Molweight177.163
Monoisotopic Mass177.053827
Clogp0.4006
Clogs-1.915
H Acceptors5
H Donors1
Total Surface Area132.12
Relative Psa0.41916
Polar Surface Area74.5
Druglikeness-5.1237
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.61538
Molecular Flexibility0.25907
Molecular Complexity0.70181
Fragments1
Non H Atoms13
Non Ch Atoms5
Electronegative Atoms5
Rotatable Bonds1
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms9
Sp3 Atoms2
Aromatic Nitrogens2
Basic Nitrogens1
Acidic Oxygens1
SmilesCc1nc(ccc([N+]([O-])=O)c2)c2[nH]1
InChIKeyInChI=1S/C8H7N3O2/c1-5-9-7-3-2-6(11(12)13)4-8(7)10-5/h2-4H,1H3,(H,9,10)
InChIRKRXTVLCZDPERO-UHFFFAOYSA-N

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