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Home > Imidazoles > 824395-30-4
824395-30-4 | 1-Pentanone, 1-[2-[2-(1H-imidazol-2-yl)phenyl]-1H-benzimidazol-5-yl]-
CAS No: 824395-30-4 Catalog No: AG004WN8 MDL No:
Product Description
Catalog Number:
AG004WN8
Chemical Name:
1-Pentanone, 1-[2-[2-(1H-imidazol-2-yl)phenyl]-1H-benzimidazol-5-yl]-
CAS Number:
824395-30-4
Molecular Formula:
C21H20N4O
Molecular Weight:
344.4097
IUPAC Name:
1-[2-[2-(1H-imidazol-2-yl)phenyl]-3H-benzimidazol-5-yl]pentan-1-one
InChI:
InChI=1S/C21H20N4O/c1-2-3-8-19(26)14-9-10-17-18(13-14)25-21(24-17)16-7-5-4-6-15(16)20-22-11-12-23-20/h4-7,9-13H,2-3,8H2,1H3,(H,22,23)(H,24,25)
InChI Key:
NVDMJCCLJCLXGS-UHFFFAOYSA-N
SMILES:
CCCCC(=O)c1ccc2c(c1)nc([nH]2)c1ccccc1c1ncc[nH]1
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.164g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
344.418g/mol
Monoisotopic Mass:
344.164g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
74.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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