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Home > Imidazoles > 82410-79-5
82410-79-5 | 1H-Imidazole, 1,1'-[1,4-phenylenebis(methylene)]bis[2-methyl-
CAS No: 82410-79-5 Catalog No: AG005BQ7 MDL No:
Product Description
Catalog Number:
AG005BQ7
Chemical Name:
1H-Imidazole, 1,1'-[1,4-phenylenebis(methylene)]bis[2-methyl-
CAS Number:
82410-79-5
Molecular Formula:
C16H18N4
Molecular Weight:
266.3409
IUPAC Name:
2-methyl-1-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]imidazole
InChI:
InChI=1S/C16H18N4/c1-13-17-7-9-19(13)11-15-3-5-16(6-4-15)12-20-10-8-18-14(20)2/h3-10H,11-12H2,1-2H3
InChI Key:
WMDWZOFWBUXBRI-UHFFFAOYSA-N
SMILES:
Cc1nccn1Cc1ccc(cc1)Cn1ccnc1C
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.153g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.348g/mol
Monoisotopic Mass:
266.153g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| 1,1'-[1,4-Phenyl-enebis(methyl-ene)]bis-(2-methyl-1H-imidazol-3-ium) 2,4-dicarb-oxy-benzene-1,5-dicarboxyl-ate monohydrate. | Acta crystallographica. Section E, Structure reports online 20110701 |
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