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86347-10-6 | 4-benzhydryl-5-methyl-1H-imidazole
CAS No: 86347-10-6 Catalog No: AG004IUJ MDL No:
Product Description
Catalog Number:
AG004IUJ
Chemical Name:
4-benzhydryl-5-methyl-1H-imidazole
CAS Number:
86347-10-6
Molecular Formula:
C17H16N2
Molecular Weight:
248.3223
IUPAC Name:
4-benzhydryl-5-methyl-1H-imidazole
InChI:
InChI=1S/C17H16N2/c1-13-17(19-12-18-13)16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-12,16H,1H3,(H,18,19)
InChI Key:
VNVJVZFATHMEQQ-UHFFFAOYSA-N
SMILES:
Cc1[nH]cnc1C(c1ccccc1)c1ccccc1
NSC Number:
226189
Properties
Complexity:
248
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:
3.9
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