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Home > Imidazoles > 184098-17-7
184098-17-7 | Ethanone, 1-[1-[3-(3-pyridinyl)phenyl]-1H-benzimidazol-5-yl]-
CAS No: 184098-17-7 Catalog No: AG01DUKU MDL No:
Product Description
Catalog Number:
AG01DUKU
Chemical Name:
Ethanone, 1-[1-[3-(3-pyridinyl)phenyl]-1H-benzimidazol-5-yl]-
CAS Number:
184098-17-7
Molecular Formula:
C20H15N3O
Molecular Weight:
313.3526
IUPAC Name:
1-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]ethanone
InChI:
InChI=1S/C20H15N3O/c1-14(24)15-7-8-20-19(11-15)22-13-23(20)18-6-2-4-16(10-18)17-5-3-9-21-12-17/h2-13H,1H3
InChI Key:
NMXLBDUSUXYEKU-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc2c(c1)ncn2c1cccc(c1)c1cccnc1
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.122g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.36g/mol
Monoisotopic Mass:
313.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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