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Home > Imidazoles > 159557-22-9
159557-22-9 | 1H-Benzimidazole, 2-[(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)methyl]-
CAS No: 159557-22-9 Catalog No: AG001R5P MDL No:
Product Description
Catalog Number:
AG001R5P
Chemical Name:
1H-Benzimidazole, 2-[(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)methyl]-
CAS Number:
159557-22-9
Molecular Formula:
C19H19N3
Molecular Weight:
289.3743
IUPAC Name:
2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1H-benzimidazole
InChI:
InChI=1S/C19H19N3/c1-2-6-15(7-3-1)16-10-12-22(13-11-16)14-19-20-17-8-4-5-9-18(17)21-19/h1-10H,11-14H2,(H,20,21)
InChI Key:
DZNZGCABZHIRPU-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1=CCN(CC1)Cc1nc2c([nH]1)cccc2
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.158g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.382g/mol
Monoisotopic Mass:
289.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
31.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| Discovery of 2-(4-pyridin-2-ylpiperazin-1-ylmethyl)-1H-benzimidazole (ABT-724), a dopaminergic agent with a novel mode of action for the potential treatment of erectile dysfunction. | Journal of medicinal chemistry 20040715 |
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