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Home > Imidazoles > 824394-42-5
824394-42-5 | 1H-Benzimidazole, 2-[2-(1H-imidazol-2-yl)phenyl]-5-methoxy-
CAS No: 824394-42-5 Catalog No: AG005B4Z MDL No:
Product Description
Catalog Number:
AG005B4Z
Chemical Name:
1H-Benzimidazole, 2-[2-(1H-imidazol-2-yl)phenyl]-5-methoxy-
CAS Number:
824394-42-5
Molecular Formula:
C17H14N4O
Molecular Weight:
290.3193
IUPAC Name:
2-[2-(1H-imidazol-2-yl)phenyl]-6-methoxy-1H-benzimidazole
InChI:
InChI=1S/C17H14N4O/c1-22-11-6-7-14-15(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:
VEEJZPRNBMTGJS-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)nc([nH]2)c1ccccc1c1ncc[nH]1
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.117g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
290.326g/mol
Monoisotopic Mass:
290.117g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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