200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 648415-47-8
648415-47-8 | 1H-Benzimidazole, 2,2'-(2-butene-1,4-diyl)bis[5-(2-pyrimidinyl)-
CAS No: 648415-47-8 Catalog No: AG006TP3 MDL No:
Product Description
Catalog Number:
AG006TP3
Chemical Name:
1H-Benzimidazole, 2,2'-(2-butene-1,4-diyl)bis[5-(2-pyrimidinyl)-
CAS Number:
648415-47-8
Molecular Formula:
C26H20N8
Molecular Weight:
444.4906
IUPAC Name:
6-pyrimidin-2-yl-2-[4-(6-pyrimidin-2-yl-1H-benzimidazol-2-yl)but-2-enyl]-1H-benzimidazole
InChI:
InChI=1S/C26H20N8/c1(5-23-31-19-9-7-17(15-21(19)33-23)25-27-11-3-12-28-25)2-6-24-32-20-10-8-18(16-22(20)34-24)26-29-13-4-14-30-26/h1-4,7-16H,5-6H2,(H,31,33)(H,32,34)
InChI Key:
CDIHMLRMZYTDRO-UHFFFAOYSA-N
SMILES:
c1cnc(nc1)c1ccc2c(c1)nc([nH]2)CC=CCc1nc2c([nH]1)ccc(c2)c1ncccn1
Properties
Complexity:
620
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
444.181g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
444.502g/mol
Monoisotopic Mass:
444.181g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.