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Home > Imidazoles > 152511-66-5
152511-66-5 | 1H-Imidazole, 2,5-dihydro-1-(4-methoxyphenyl)-2,4-diphenyl-, 3-oxide
CAS No: 152511-66-5 Catalog No: AG007JJN MDL No:
Product Description
Catalog Number:
AG007JJN
Chemical Name:
1H-Imidazole, 2,5-dihydro-1-(4-methoxyphenyl)-2,4-diphenyl-, 3-oxide
CAS Number:
152511-66-5
Molecular Formula:
C22H20N2O2
Molecular Weight:
344.4064
IUPAC Name:
3-(4-methoxyphenyl)-1-oxido-2,5-diphenyl-2,4-dihydroimidazol-1-ium
InChI:
InChI=1S/C22H20N2O2/c1-26-20-14-12-19(13-15-20)23-16-21(17-8-4-2-5-9-17)24(25)22(23)18-10-6-3-7-11-18/h2-15,22H,16H2,1H3
InChI Key:
SAINUWPUQZJRCK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N1CC(=[N+](C1c1ccccc1)[O-])c1ccccc1
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.152g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.414g/mol
Monoisotopic Mass:
344.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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