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210699-97-1

210699-97-1 | Pyridine, 2-[(4R,5S)-4,5-dihydro-2,5-di-2-pyridinyl-1H-imidazol-4-yl]-, rel-

CAS No: 210699-97-1 Catalog No: AG002KXC MDL No:

Product Description

Catalog Number:
AG002KXC
Chemical Name:
Pyridine, 2-[(4R,5S)-4,5-dihydro-2,5-di-2-pyridinyl-1H-imidazol-4-yl]-, rel-
CAS Number:
210699-97-1
Molecular Formula:
C18H15N5
Molecular Weight:
301.3452
IUPAC Name:
2-[(4R,5S)-2,4-dipyridin-2-yl-4,5-dihydro-1H-imidazol-5-yl]pyridine
InChI:
InChI=1S/C18H15N5/c1-4-10-19-13(7-1)16-17(14-8-2-5-11-20-14)23-18(22-16)15-9-3-6-12-21-15/h1-12,16-17H,(H,22,23)/t16-,17+
InChI Key:
GBUHFOFVRMLIKZ-CALCHBBNSA-N
SMILES:
c1ccc(nc1)C1=N[C@H]([C@H](N1)c1ccccn1)c1ccccn1

Properties

Complexity:
424  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
301.133g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
301.353g/mol
Monoisotopic Mass:
301.133g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

Literature

Title Journal
Dichloridobis(methanol-κO)[cis-(±)-2,4,5-tris-(pyridin-2-yl)-2-imidazoline-κ(3)N(2),N(3),N(4)]ytterbium(III) chloride. Acta crystallographica. Section E, Structure reports online 20120601

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