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Home > Imidazoles > 101278-94-8
101278-94-8 | Ethanone, 1,2-bis(1H-benzimidazol-2-yl)-2-hydroxy-
CAS No: 101278-94-8 Catalog No: AG00044C MDL No:
Product Description
Catalog Number:
AG00044C
Chemical Name:
Ethanone, 1,2-bis(1H-benzimidazol-2-yl)-2-hydroxy-
CAS Number:
101278-94-8
Molecular Formula:
C16H12N4O2
Molecular Weight:
292.2921
IUPAC Name:
1,2-bis(1H-benzimidazol-2-yl)-2-hydroxyethanone
InChI:
InChI=1S/C16H12N4O2/c21-13(15-17-9-5-1-2-6-10(9)18-15)14(22)16-19-11-7-3-4-8-12(11)20-16/h1-8,13,21H,(H,17,18)(H,19,20)
InChI Key:
JULGGXQUFYGQEY-UHFFFAOYSA-N
SMILES:
O=C(C(c1nc2c([nH]1)cccc2)O)c1nc2c([nH]1)cccc2
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.096g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
292.298g/mol
Monoisotopic Mass:
292.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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