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Home > Imidazoles > 16131-77-4
16131-77-4 | 1H-Isoindole-1,3(2H)-dione, 2-(1H-benzimidazol-2-yl)hexahydro-
CAS No: 16131-77-4 Catalog No: AG001SCJ MDL No:
Product Description
Catalog Number:
AG001SCJ
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(1H-benzimidazol-2-yl)hexahydro-
CAS Number:
16131-77-4
Molecular Formula:
C15H15N3O2
Molecular Weight:
269.2985
IUPAC Name:
2-(1H-benzimidazol-2-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
InChI:
InChI=1S/C15H15N3O2/c19-13-9-5-1-2-6-10(9)14(20)18(13)15-16-11-7-3-4-8-12(11)17-15/h3-4,7-10H,1-2,5-6H2,(H,16,17)
InChI Key:
INMKKGMTGPGPRK-UHFFFAOYSA-N
SMILES:
O=C1C2CCCCC2C(=O)N1c1nc2c([nH]1)cccc2
NSC Number:
80815
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.304g/mol
Monoisotopic Mass:
269.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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