N,N`-bis-alkyl butylimmidazole 12b

Ligand id: 6911

Name: N,N`-bis-alkyl butylimmidazole 12b

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 0
Rotatable bonds 11
Topological polar surface area 90.44
Molecular weight 714.16
XLogP 13.54
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
disodium;5-[2-[4-[[4-butyl-3-[[4-[2-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)phenyl]phenyl]methyl]-1H-imidazol-3-ium-5-yl]methyl]phenyl]phenyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene;bromide
Synonyms
compound 12b [PMID: 23376252] [1]
Database Links
PubChem CID 73755247
Search Google for chemical match using the InChIKey BFASNXRKCVRLPK-UHFFFAOYSA-M
Search Google for chemicals with the same backbone BFASNXRKCVRLPK
Search UniChem for chemical match using the InChIKey BFASNXRKCVRLPK-UHFFFAOYSA-M
Search UniChem for chemicals with the same backbone BFASNXRKCVRLPK
Comments
The representation of this compoound on PubChem shows a different tautomer, linked to above.