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Home > Imidazoles > 89722-53-2
89722-53-2 | 2-Pyrrolidinone, 1-(5,6-dimethoxy-1H-benzimidazol-2-yl)-
CAS No: 89722-53-2 Catalog No: AG00420Q MDL No:
Product Description
Catalog Number:
AG00420Q
Chemical Name:
2-Pyrrolidinone, 1-(5,6-dimethoxy-1H-benzimidazol-2-yl)-
CAS Number:
89722-53-2
Molecular Formula:
C13H15N3O3
Molecular Weight:
261.2765
IUPAC Name:
1-(5,6-dimethoxy-1H-benzimidazol-2-yl)pyrrolidin-2-one
InChI:
InChI=1S/C13H15N3O3/c1-18-10-6-8-9(7-11(10)19-2)15-13(14-8)16-5-3-4-12(16)17/h6-7H,3-5H2,1-2H3,(H,14,15)
InChI Key:
DSFFDVKLCMXFKV-UHFFFAOYSA-N
SMILES:
COc1cc2[nH]c(nc2cc1OC)N1CCCC1=O
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.281g/mol
Monoisotopic Mass:
261.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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