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Home > Imidazoles > 173838-67-0
173838-67-0 | 2-[4-(4-Pyridin-3-yl-imidazol-1-yl)-butyl]-isoindole-1,3-dione
CAS No: 173838-67-0 Catalog No: AG00JPR9 MDL No:
Product Description
Catalog Number:
AG00JPR9
Chemical Name:
2-[4-(4-Pyridin-3-yl-imidazol-1-yl)-butyl]-isoindole-1,3-dione
CAS Number:
173838-67-0
Molecular Formula:
C20H18N4O2
Molecular Weight:
346.3825
IUPAC Name:
2-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]isoindole-1,3-dione
InChI:
InChI=1S/C20H18N4O2/c25-19-16-7-1-2-8-17(16)20(26)24(19)11-4-3-10-23-13-18(22-14-23)15-6-5-9-21-12-15/h1-2,5-9,12-14H,3-4,10-11H2
InChI Key:
MOYLFIZRERPAKM-UHFFFAOYSA-N
SMILES:
O=C1N(CCCCn2cnc(c2)c2cccnc2)C(=O)c2c1cccc2
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.143g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.39g/mol
Monoisotopic Mass:
346.143g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
68.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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