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Home > Imidazoles > 106639-46-7
106639-46-7 | 1H-Isoindole-1,3(2H)-dione, 2-[2-(1H-benzimidazol-2-ylphenyl)ethyl]-
CAS No: 106639-46-7 Catalog No: AG007ULH MDL No:
Product Description
Catalog Number:
AG007ULH
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[2-(1H-benzimidazol-2-ylphenyl)ethyl]-
CAS Number:
106639-46-7
Molecular Formula:
C23H17N3O2
Molecular Weight:
367.4000
IUPAC Name:
2-[2-[2-(1H-benzimidazol-2-yl)phenyl]ethyl]isoindole-1,3-dione
InChI:
InChI=1S/C23H17N3O2/c27-22-17-9-3-4-10-18(17)23(28)26(22)14-13-15-7-1-2-8-16(15)21-24-19-11-5-6-12-20(19)25-21/h1-12H,13-14H2,(H,24,25)
InChI Key:
DCRWZXOMOPCWJR-UHFFFAOYSA-N
SMILES:
O=C1N(CCc2ccccc2c2nc3c([nH]2)cccc3)C(=O)c2c1cccc2
Properties
Complexity:
585
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.132g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
367.408g/mol
Monoisotopic Mass:
367.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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