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Home > Imidazoles > 769171-68-8
769171-68-8 | Phenol, 2,6-bis(1H-benzimidazol-2-yl)-4-methyl-
CAS No: 769171-68-8 Catalog No: AG005G4C MDL No:
Product Description
Catalog Number:
AG005G4C
Chemical Name:
Phenol, 2,6-bis(1H-benzimidazol-2-yl)-4-methyl-
CAS Number:
769171-68-8
Molecular Formula:
C21H16N4O
Molecular Weight:
340.3779
IUPAC Name:
2,6-bis(1H-benzimidazol-2-yl)-4-methylphenol
InChI:
InChI=1S/C21H16N4O/c1-12-10-13(20-22-15-6-2-3-7-16(15)23-20)19(26)14(11-12)21-24-17-8-4-5-9-18(17)25-21/h2-11,26H,1H3,(H,22,23)(H,24,25)
InChI Key:
XWGHLAQUXMGEAR-UHFFFAOYSA-N
SMILES:
Cc1cc(c2nc3c([nH]2)cccc3)c(c(c1)c1nc2c([nH]1)cccc2)O
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.132g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
340.386g/mol
Monoisotopic Mass:
340.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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