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519017-28-8 | 1-(1H,1'H -[2,5']Bibenzoimidazolyl-2'-yl)ethanol
CAS No: 519017-28-8 Catalog No: AG01EWBN MDL No:
Product Description
Catalog Number:
AG01EWBN
Chemical Name:
1-(1H,1'H -[2,5']Bibenzoimidazolyl-2'-yl)ethanol
CAS Number:
519017-28-8
Molecular Formula:
C16H14N4O
Molecular Weight:
278.3086
IUPAC Name:
1-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]ethanol
InChI:
InChI=1S/C16H14N4O/c1-9(21)15-17-13-7-6-10(8-14(13)20-15)16-18-11-4-2-3-5-12(11)19-16/h2-9,21H,1H3,(H,17,20)(H,18,19)
InChI Key:
RPKFEBKTMDRMIO-UHFFFAOYSA-N
SMILES:
CC(c1[nH]c2c(n1)cc(cc2)c1nc2c([nH]1)cccc2)O
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.117g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
278.315g/mol
Monoisotopic Mass:
278.117g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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