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Home > Imidazoles > 87927-77-3
87927-77-3 | 1H-Imidazole,4-methyl-2-phenyl-5-(phenylmethyl)-
CAS No: 87927-77-3 Catalog No: AG008C02 MDL No:
Product Description
Catalog Number:
AG008C02
Chemical Name:
1H-Imidazole,4-methyl-2-phenyl-5-(phenylmethyl)-
CAS Number:
87927-77-3
Molecular Formula:
C17H16N2
Molecular Weight:
248.3223
IUPAC Name:
4-benzyl-5-methyl-2-phenyl-1H-imidazole
InChI:
InChI=1S/C17H16N2/c1-13-16(12-14-8-4-2-5-9-14)19-17(18-13)15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H,18,19)
InChI Key:
NKVXEXBFJUACKT-UHFFFAOYSA-N
SMILES:
Cc1nc([nH]c1Cc1ccccc1)c1ccccc1
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.329g/mol
Monoisotopic Mass:
248.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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