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Home > Imidazoles > 20631-41-8
20631-41-8 | 1H-Isoindole-1,3(2H)-dione, 2-[4-(1H-benzimidazol-2-yl)phenyl]-
CAS No: 20631-41-8 Catalog No: AG002IFF MDL No:
Product Description
Catalog Number:
AG002IFF
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[4-(1H-benzimidazol-2-yl)phenyl]-
CAS Number:
20631-41-8
Molecular Formula:
C21H13N3O2
Molecular Weight:
339.3468
IUPAC Name:
2-[4-(1H-benzimidazol-2-yl)phenyl]isoindole-1,3-dione
InChI:
InChI=1S/C21H13N3O2/c25-20-15-5-1-2-6-16(15)21(26)24(20)14-11-9-13(10-12-14)19-22-17-7-3-4-8-18(17)23-19/h1-12H,(H,22,23)
InChI Key:
NHOPRLYJCODXJT-UHFFFAOYSA-N
SMILES:
O=C1N(c2ccc(cc2)c2nc3c([nH]2)cccc3)C(=O)c2c1cccc2
Properties
Complexity:
548
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.101g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
339.354g/mol
Monoisotopic Mass:
339.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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