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Home > Imidazoles > 89372-44-1
89372-44-1 | 1H-Imidazole, 1-[2-([1,1'-biphenyl]-4-ylmethyl)-3,3-dimethyl-1-oxobutyl]-
CAS No: 89372-44-1 Catalog No: AG003XKC MDL No:
Product Description
Catalog Number:
AG003XKC
Chemical Name:
1H-Imidazole, 1-[2-([1,1'-biphenyl]-4-ylmethyl)-3,3-dimethyl-1-oxobutyl]-
CAS Number:
89372-44-1
Molecular Formula:
C22H24N2O
Molecular Weight:
332.4388
IUPAC Name:
1-imidazol-1-yl-3,3-dimethyl-2-[(4-phenylphenyl)methyl]butan-1-one
InChI:
InChI=1S/C22H24N2O/c1-22(2,3)20(21(25)24-14-13-23-16-24)15-17-9-11-19(12-10-17)18-7-5-4-6-8-18/h4-14,16,20H,15H2,1-3H3
InChI Key:
FEQQDEVFNFHYIU-UHFFFAOYSA-N
SMILES:
O=C(C(C(C)(C)C)Cc1ccc(cc1)c1ccccc1)n1cncc1
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.189g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.447g/mol
Monoisotopic Mass:
332.189g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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