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Home > Imidazoles > 98572-14-6
98572-14-6 | 2-Propen-1-one, 1-(5-methyl-2-phenyl-1H-imidazol-4-yl)-3-phenyl-, (E)-
CAS No: 98572-14-6 Catalog No: AG005UEG MDL No:
Product Description
Catalog Number:
AG005UEG
Chemical Name:
2-Propen-1-one, 1-(5-methyl-2-phenyl-1H-imidazol-4-yl)-3-phenyl-, (E)-
CAS Number:
98572-14-6
Molecular Formula:
C19H16N2O
Molecular Weight:
288.3431
IUPAC Name:
1-(5-methyl-2-phenyl-1H-imidazol-4-yl)-3-phenylprop-2-en-1-one
InChI:
InChI=1S/C19H16N2O/c1-14-18(17(22)13-12-15-8-4-2-5-9-15)21-19(20-14)16-10-6-3-7-11-16/h2-13H,1H3,(H,20,21)
InChI Key:
QMUVKVMDYSMFMU-UHFFFAOYSA-N
SMILES:
O=C(c1nc([nH]c1C)c1ccccc1)/C=C/c1ccccc1
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.126g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.35g/mol
Monoisotopic Mass:
288.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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