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13682-29-6 | 1H-Imidazole, 2-ethyl-4,5-diphenyl-
CAS No: 13682-29-6 Catalog No: AG0012F3 MDL No:
Product Description
Catalog Number:
AG0012F3
Chemical Name:
1H-Imidazole, 2-ethyl-4,5-diphenyl-
CAS Number:
13682-29-6
Molecular Formula:
C17H16N2
Molecular Weight:
248.3223
IUPAC Name:
2-ethyl-4,5-diphenyl-1H-imidazole
InChI:
InChI=1S/C17H16N2/c1-2-15-18-16(13-9-5-3-6-10-13)17(19-15)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,18,19)
InChI Key:
JFGCBMQXGWFESU-UHFFFAOYSA-N
SMILES:
CCc1nc(c([nH]1)c1ccccc1)c1ccccc1
NSC Number:
163178
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:
4.2
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