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2,5,6-trimethylbenzimidazole
PHCD compound ID : 4651
Chemical Names :
2,5,6-trimethylbenzimidazole
Molecular Formula : C10H12N2
Molecular Weight : 160.100048
More Details :
Names & Synonyms: 2,5,6-trimethyl-1H-benzimidazole
Smiles: Cc1[nH]c2c(n1)cc(c(c2)C)C
InChi : InChI=1S/C10H12N2/c1-6-4-9-10(5-7(6)2)12-8(3)11-9/h4-5H,1-3H3,(H,11,12)
InChi Key : InChIKey=AFNRMRFWCAJQGP-UHFFFAOYSA-N
PubChem ID : 76891
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 8.667209
Hydrogen bond donor count : 1 Electric dipole moment : 3.551
XLogP : 1.781 VDW volume : 146.451073
Molecular weight : 160.100048 HOMO-LUMO gap : 8.632000
Herb list :
Refrences & Litretures:
  
734.      Journal:'Botanical Sciences'      Year:'2015'      Volume:'93'      Page:'633'      DOI:'10.17129/botsci.143'      Title:'CHEMICAL COMPOSITION OF SCENTED EXTRACTS OBTAINED FROM CALENDULA OFFICINALIS BY THREE EXTRACTION METHODS'
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