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Home > Imidazoles > 1609493-96-0
1609493-96-0 | 2-(4-Pyridyl)-1H-anthra[1,2-d]imidazole-6,11-dione
CAS No: 1609493-96-0 Catalog No: AG01F93V MDL No:
Product Description
Catalog Number:
AG01F93V
Chemical Name:
2-(4-Pyridyl)-1H-anthra[1,2-d]imidazole-6,11-dione
CAS Number:
1609493-96-0
Molecular Formula:
C20H13N3O2
Molecular Weight:
327.3361
IUPAC Name:
2-pyridin-4-yl-6a,10a-dihydro-3H-naphtho[3,2-e]benzimidazole-6,11-dione
InChI:
InChI=1S/C20H13N3O2/c24-18-12-3-1-2-4-13(12)19(25)16-14(18)5-6-15-17(16)23-20(22-15)11-7-9-21-10-8-11/h1-10,12-13H,(H,22,23)
InChI Key:
KSFIWHOAKHULIV-UHFFFAOYSA-N
SMILES:
O=C1C2C=CC=CC2C(=O)c2c1c1nc([nH]c1cc2)c1ccncc1
Properties
Complexity:
637
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.101g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.343g/mol
Monoisotopic Mass:
327.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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