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Home > Imidazoles > 917749-43-0
917749-43-0 | 2-(2-Mercapto-benzoimidazol-1-yl)-1-piperidin-1-yl-ethanone
CAS No: 917749-43-0 Catalog No: AG01EZ74 MDL No:
Product Description
Catalog Number:
AG01EZ74
Chemical Name:
2-(2-Mercapto-benzoimidazol-1-yl)-1-piperidin-1-yl-ethanone
CAS Number:
917749-43-0
Molecular Formula:
C14H17N3OS
Molecular Weight:
275.3693
IUPAC Name:
1-piperidin-1-yl-2-(2-sulfanylidene-3H-benzimidazol-1-yl)ethanone
InChI:
InChI=1S/C14H17N3OS/c18-13(16-8-4-1-5-9-16)10-17-12-7-3-2-6-11(12)15-14(17)19/h2-3,6-7H,1,4-5,8-10H2,(H,15,19)
InChI Key:
JHHBROFNWFIUJA-UHFFFAOYSA-N
SMILES:
O=C(N1CCCCC1)Cn1c(S)nc2c1cccc2
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.109g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.37g/mol
Monoisotopic Mass:
275.109g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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