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Home > Imidazoles > 89114-14-7
89114-14-7 | 1H-Benzimidazole, 2-(2-ethoxyphenyl)-5-methyl-
CAS No: 89114-14-7 Catalog No: AG003YF3 MDL No:
Product Description
Catalog Number:
AG003YF3
Chemical Name:
1H-Benzimidazole, 2-(2-ethoxyphenyl)-5-methyl-
CAS Number:
89114-14-7
Molecular Formula:
C16H16N2O
Molecular Weight:
252.3110
IUPAC Name:
2-(2-ethoxyphenyl)-6-methyl-1H-benzimidazole
InChI:
InChI=1S/C16H16N2O/c1-3-19-15-7-5-4-6-12(15)16-17-13-9-8-11(2)10-14(13)18-16/h4-10H,3H2,1-2H3,(H,17,18)
InChI Key:
IFXDRSHCXDPEKQ-UHFFFAOYSA-N
SMILES:
CCOc1ccccc1c1nc2c([nH]1)ccc(c2)C
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.126g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.317g/mol
Monoisotopic Mass:
252.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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