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1007882-27-0 | 1H-Imidazole, 5,5'-[1,1'-biphenyl]-4,4'-diylbis[2-(2S)-2-pyrrolidinyl-
CAS No: 1007882-27-0 Catalog No: AG0002VJ MDL No:
Product Description
Catalog Number:
AG0002VJ
Chemical Name:
1H-Imidazole, 5,5'-[1,1'-biphenyl]-4,4'-diylbis[2-(2S)-2-pyrrolidinyl-
CAS Number:
1007882-27-0
Molecular Formula:
C26H28N6
Molecular Weight:
424.5407
IUPAC Name:
2-[(2S)-pyrrolidin-2-yl]-5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole
InChI:
InChI=1S/C26H28N6/c1-3-21(27-13-1)25-29-15-23(31-25)19-9-5-17(6-10-19)18-7-11-20(12-8-18)24-16-30-26(32-24)22-4-2-14-28-22/h5-12,15-16,21-22,27-28H,1-4,13-14H2,(H,29,31)(H,30,32)/t21-,22-/m0/s1
InChI Key:
UXYVOBIJTHABEM-VXKWHMMOSA-N
SMILES:
C1CN[C@@H](C1)c1ncc([nH]1)c1ccc(cc1)c1ccc(cc1)c1cnc([nH]1)[C@@H]1CCCN1
Properties
Complexity:
547
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
424.238g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
424.552g/mol
Monoisotopic Mass:
424.238g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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