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Home > Imidazoles > 917749-45-2
917749-45-2 | 2-(2-Mercapto-benzoimidazol-1-yl)-1-pyrrolidin-1-yl-ethanone
CAS No: 917749-45-2 Catalog No: AG01EZ76 MDL No:
Product Description
Catalog Number:
AG01EZ76
Chemical Name:
2-(2-Mercapto-benzoimidazol-1-yl)-1-pyrrolidin-1-yl-ethanone
CAS Number:
917749-45-2
Molecular Formula:
C13H15N3OS
Molecular Weight:
261.3427
IUPAC Name:
1-pyrrolidin-1-yl-2-(2-sulfanylidene-3H-benzimidazol-1-yl)ethanone
InChI:
InChI=1S/C13H15N3OS/c17-12(15-7-3-4-8-15)9-16-11-6-2-1-5-10(11)14-13(16)18/h1-2,5-6H,3-4,7-9H2,(H,14,18)
InChI Key:
NSHNCKPXFUFMON-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC1)Cn1c(S)nc2c1cccc2
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.094g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.343g/mol
Monoisotopic Mass:
261.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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