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Home > Imidazoles > 89372-73-6
89372-73-6 | 1H-Imidazole, 1-[3,3-dimethyl-1-oxo-2-[(4-phenoxyphenyl)methyl]butyl]-
CAS No: 89372-73-6 Catalog No: AG003X41 MDL No:
Product Description
Catalog Number:
AG003X41
Chemical Name:
1H-Imidazole, 1-[3,3-dimethyl-1-oxo-2-[(4-phenoxyphenyl)methyl]butyl]-
CAS Number:
89372-73-6
Molecular Formula:
C22H24N2O2
Molecular Weight:
348.4382
IUPAC Name:
1-imidazol-1-yl-3,3-dimethyl-2-[(4-phenoxyphenyl)methyl]butan-1-one
InChI:
InChI=1S/C22H24N2O2/c1-22(2,3)20(21(25)24-14-13-23-16-24)15-17-9-11-19(12-10-17)26-18-7-5-4-6-8-18/h4-14,16,20H,15H2,1-3H3
InChI Key:
MTABFIVNJQXAKT-UHFFFAOYSA-N
SMILES:
O=C(C(C(C)(C)C)Cc1ccc(cc1)Oc1ccccc1)n1cncc1
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.184g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.446g/mol
Monoisotopic Mass:
348.184g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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