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Home > Imidazoles > 113313-89-6
113313-89-6 | 2H-Imidazol-2-one, 1,3-dihydro-1,4-dimethyl-5-phenyl-3-(phenylmethyl)-
CAS No: 113313-89-6 Catalog No: AG007SM0 MDL No:
Product Description
Catalog Number:
AG007SM0
Chemical Name:
2H-Imidazol-2-one, 1,3-dihydro-1,4-dimethyl-5-phenyl-3-(phenylmethyl)-
CAS Number:
113313-89-6
Molecular Formula:
C18H18N2O
Molecular Weight:
278.3483
IUPAC Name:
1-benzyl-3,5-dimethyl-4-phenylimidazol-2-one
InChI:
InChI=1S/C18H18N2O/c1-14-17(16-11-7-4-8-12-16)19(2)18(21)20(14)13-15-9-5-3-6-10-15/h3-12H,13H2,1-2H3
InChI Key:
SQJYSAKBWWIZCN-UHFFFAOYSA-N
SMILES:
O=c1n(C)c(c(n1Cc1ccccc1)C)c1ccccc1
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.142g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.355g/mol
Monoisotopic Mass:
278.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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