2,2'-BIIMIDAZOLE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII WEZ56MM6EC
EPA CompTox DTXSID30197715

Structure

InChI Key AZUHIVLOSAPWDM-UHFFFAOYSA-N
Smiles [nH]1ccnc1c1ncc[nH]1
InChI
InChI=1S/C6H6N4/c1-2-8-5(7-1)6-9-3-4-10-6/h1-4H,(H,7,8)(H,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H6N4
Molecular Weight 134.06
AlogP 0.8
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 57.36
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 492-98-8
NORMAN SUSDAT
FDA SRS WEZ56MM6EC
PubChem 101463
ChemSpider 91683.0
CONTENTS