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Home > Imidazoles > 86818-80-6
86818-80-6 | (5Z)-5-benzylidene-3-(4-morpholin-4-ylphenyl)-2-phenyl-imidazol-4-one
CAS No: 86818-80-6 Catalog No: AG004MHV MDL No:
Product Description
Catalog Number:
AG004MHV
Chemical Name:
(5Z)-5-benzylidene-3-(4-morpholin-4-ylphenyl)-2-phenyl-imidazol-4-one
CAS Number:
86818-80-6
Molecular Formula:
C26H23N3O2
Molecular Weight:
409.4797
IUPAC Name:
5-benzylidene-3-(4-morpholin-4-ylphenyl)-2-phenylimidazol-4-one
InChI:
InChI=1S/C26H23N3O2/c30-26-24(19-20-7-3-1-4-8-20)27-25(21-9-5-2-6-10-21)29(26)23-13-11-22(12-14-23)28-15-17-31-18-16-28/h1-14,19H,15-18H2
InChI Key:
MXRXMJJOFYVYEI-UHFFFAOYSA-N
SMILES:
O=C1/C(=C/c2ccccc2)/N=C(N1c1ccc(cc1)N1CCOCC1)c1ccccc1
Properties
Complexity:
677
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.179g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
409.489g/mol
Monoisotopic Mass:
409.179g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.5
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