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Home > Imidazoles > 918158-34-6
918158-34-6 | 1H-Phenalene-1,3(2H)-dione, 2-(1H-benzimidazol-2-yl)-
CAS No: 918158-34-6 Catalog No: AG0069A9 MDL No:
Product Description
Catalog Number:
AG0069A9
Chemical Name:
1H-Phenalene-1,3(2H)-dione, 2-(1H-benzimidazol-2-yl)-
CAS Number:
918158-34-6
Molecular Formula:
C20H12N2O2
Molecular Weight:
312.3215
IUPAC Name:
2-(1H-benzimidazol-2-yl)phenalene-1,3-dione
InChI:
InChI=1S/C20H12N2O2/c23-18-12-7-3-5-11-6-4-8-13(16(11)12)19(24)17(18)20-21-14-9-1-2-10-15(14)22-20/h1-10,17H,(H,21,22)
InChI Key:
PKKNFGWPTIVGIS-UHFFFAOYSA-N
SMILES:
O=C1C(c2nc3c([nH]2)cccc3)C(=O)c2c3c1cccc3ccc2
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.09g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.328g/mol
Monoisotopic Mass:
312.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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