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ScientificNameLabel
1-Methyl-2,4-nitrophenyl benzimid
PHCD compound ID : 2853
Chemical Names :
1-Methyl-2,4-nitrophenyl benzimid
Molecular Formula : C14H11N3O2
Molecular Weight : 253.085127
More Details :
Names & Synonyms: 1-methyl-2-(4-nitrophenyl)benzimidazole
Smiles: [O-][N+](=O)c1ccc(cc1)c1nc2c(n1C)cccc2
InChi : InChI=1S/C14H11N3O2/c1-16-13-5-3-2-4-12(13)15-14(16)10-6-8-11(9-7-10)17(18)19/h2-9H,1H3
InChi Key : InChIKey=FIRXFJFJHQIIRB-UHFFFAOYSA-N
PubChem ID : 774862
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.286606
Hydrogen bond donor count : 0 Electric dipole moment : 6.213
XLogP : 1.947 VDW volume : 210.409932
Molecular weight : 253.085127 HOMO-LUMO gap : 7.654000
Herb list :
Refrences & Litretures:
  
358.      Journal:'Food Chemistry'      Year:'2010'      Volume:'120'      Page:'308'      DOI:'10.1016/j.foodchem.2009.09.084'      Title:'Comparative evaluation of the antibacterial activities of the essential oils of Rosmarinus officinalis L. obtained by hydrodistillation and solvent free microwave extraction methods'
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