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Home > Imidazoles > 824395-29-1
824395-29-1 | Ethanone, 1-[2-[2-(1H-imidazol-2-yl)phenyl]-1H-benzimidazol-5-yl]-
CAS No: 824395-29-1 Catalog No: AG005B4P MDL No:
Product Description
Catalog Number:
AG005B4P
Chemical Name:
Ethanone, 1-[2-[2-(1H-imidazol-2-yl)phenyl]-1H-benzimidazol-5-yl]-
CAS Number:
824395-29-1
Molecular Formula:
C18H14N4O
Molecular Weight:
302.3300
IUPAC Name:
1-[2-[2-(1H-imidazol-2-yl)phenyl]-3H-benzimidazol-5-yl]ethanone
InChI:
InChI=1S/C18H14N4O/c1-11(23)12-6-7-15-16(10-12)22-18(21-15)14-5-3-2-4-13(14)17-19-8-9-20-17/h2-10H,1H3,(H,19,20)(H,21,22)
InChI Key:
XMTPHFNKHBWIGU-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc2c(c1)nc([nH]2)c1ccccc1c1ncc[nH]1
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.117g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
302.337g/mol
Monoisotopic Mass:
302.117g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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