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824394-55-0 | 1H-Benzimidazole, 2-[2-(1H-imidazol-2-yl)phenyl]-5-methyl-
CAS No: 824394-55-0 Catalog No: AG008JVS MDL No:
Product Description
Catalog Number:
AG008JVS
Chemical Name:
1H-Benzimidazole, 2-[2-(1H-imidazol-2-yl)phenyl]-5-methyl-
CAS Number:
824394-55-0
Molecular Formula:
C17H14N4
Molecular Weight:
274.3199
IUPAC Name:
2-[2-(1H-imidazol-2-yl)phenyl]-6-methyl-1H-benzimidazole
InChI:
InChI=1S/C17H14N4/c1-11-6-7-14-15(10-11)21-17(20-14)13-5-3-2-4-12(13)16-18-8-9-19-16/h2-10H,1H3,(H,18,19)(H,20,21)
InChI Key:
WSVKELNFYBLYPM-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)nc([nH]2)c1ccccc1c1ncc[nH]1
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.122g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
274.327g/mol
Monoisotopic Mass:
274.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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