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101117-48-0 | 4H-Imidazol-4-one, 3-amino-3,5-dihydro-2-phenyl-5-(phenylmethylene)-
CAS No: 101117-48-0 Catalog No: AG0003S0 MDL No:
Product Description
Catalog Number:
AG0003S0
Chemical Name:
4H-Imidazol-4-one, 3-amino-3,5-dihydro-2-phenyl-5-(phenylmethylene)-
CAS Number:
101117-48-0
Molecular Formula:
C16H13N3O
Molecular Weight:
263.2939
IUPAC Name:
3-amino-5-benzylidene-2-phenylimidazol-4-one
InChI:
InChI=1S/C16H13N3O/c17-19-15(13-9-5-2-6-10-13)18-14(16(19)20)11-12-7-3-1-4-8-12/h1-11H,17H2
InChI Key:
DYKNMOLOQDHKNM-UHFFFAOYSA-N
SMILES:
O=C1C(=Cc2ccccc2)N=C(N1N)c1ccccc1
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.106g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.3g/mol
Monoisotopic Mass:
263.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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