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824394-54-9 | 1H-Benzimidazole, 2-[2-(1H-imidazol-2-yl)phenyl]-
CAS No: 824394-54-9 Catalog No: AG005B4W MDL No:
Product Description
Catalog Number:
AG005B4W
Chemical Name:
1H-Benzimidazole, 2-[2-(1H-imidazol-2-yl)phenyl]-
CAS Number:
824394-54-9
Molecular Formula:
C16H12N4
Molecular Weight:
260.2933
IUPAC Name:
2-[2-(1H-imidazol-2-yl)phenyl]-1H-benzimidazole
InChI:
InChI=1S/C16H12N4/c1-2-6-12(11(5-1)15-17-9-10-18-15)16-19-13-7-3-4-8-14(13)20-16/h1-10H,(H,17,18)(H,19,20)
InChI Key:
PCSGGIHZZMPECM-UHFFFAOYSA-N
SMILES:
c1cnc([nH]1)c1ccccc1c1nc2c([nH]1)cccc2
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.106g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
260.3g/mol
Monoisotopic Mass:
260.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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