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824394-41-4 | 1H-Benzimidazole, 2-[2-(1H-imidazol-2-yl)phenyl]-5-(1H-pyrrol-1-yl)-
CAS No: 824394-41-4 Catalog No: AG0051MY MDL No:
Product Description
Catalog Number:
AG0051MY
Chemical Name:
1H-Benzimidazole, 2-[2-(1H-imidazol-2-yl)phenyl]-5-(1H-pyrrol-1-yl)-
CAS Number:
824394-41-4
Molecular Formula:
C20H15N5
Molecular Weight:
325.3666
IUPAC Name:
2-[2-(1H-imidazol-2-yl)phenyl]-6-pyrrol-1-yl-1H-benzimidazole
InChI:
InChI=1S/C20H15N5/c1-2-6-16(15(5-1)19-21-9-10-22-19)20-23-17-8-7-14(13-18(17)24-20)25-11-3-4-12-25/h1-13H,(H,21,22)(H,23,24)
InChI Key:
PRIPYLXRSWPWOJ-UHFFFAOYSA-N
SMILES:
c1ccc(c(c1)c1nc2c([nH]1)ccc(c2)n1cccc1)c1ncc[nH]1
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.133g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
325.375g/mol
Monoisotopic Mass:
325.133g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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