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178928-68-2

178928-68-2 | Pyrimidine, 2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]-1-piperazinyl]-

CAS No: 178928-68-2 Catalog No: AG0026HR MDL No:

Product Description

Catalog Number:
AG0026HR
Chemical Name:
Pyrimidine, 2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]-1-piperazinyl]-
CAS Number:
178928-68-2
Molecular Formula:
C18H20N6
Molecular Weight:
320.3916
IUPAC Name:
2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine
InChI:
InChI=1S/C18H20N6/c1-2-5-15(6-3-1)17-21-13-16(22-17)14-23-9-11-24(12-10-23)18-19-7-4-8-20-18/h1-8,13H,9-12,14H2,(H,21,22)
InChI Key:
OTVQCHUIPJYASM-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1ncc([nH]1)CN1CCN(CC1)c1ncccn1
UNII:
DO9M06BFRJ

Properties

Complexity:
372  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.175g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
320.4g/mol
Monoisotopic Mass:
320.175g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

Literature

Title Journal
Certain 1,4-disubstituted aromatic piperidines and piperazines with extreme selectivity for the dopamine D4 receptor interact with a common receptor microdomain. Molecular pharmacology 20041201
Current and novel approaches to the drug treatment of schizophrenia. Journal of medicinal chemistry 20010215
II. Localization and characterization of dopamine D4 binding sites in rat and human brain by use of the novel, D4 receptor-selective ligand [3H]NGD 94-1. The Journal of pharmacology and experimental therapeutics 19970801

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