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217095-58-4 | 1H-Benzimidazole, 2-[[2-(1-piperazinyl)ethyl]thio]-
CAS No: 217095-58-4 Catalog No: AG006ZXO MDL No:MFCD16502163
Product Description
Catalog Number:
AG006ZXO
Chemical Name:
1H-Benzimidazole, 2-[[2-(1-piperazinyl)ethyl]thio]-
CAS Number:
217095-58-4
Molecular Formula:
C13H18N4S
Molecular Weight:
262.3738
MDL Number:
MFCD16502163
IUPAC Name:
2-(2-piperazin-1-ylethylsulfanyl)-1H-benzimidazole
InChI:
InChI=1S/C13H18N4S/c1-2-4-12-11(3-1)15-13(16-12)18-10-9-17-7-5-14-6-8-17/h1-4,14H,5-10H2,(H,15,16)
InChI Key:
HLCJWHPFHPEXMI-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)CCSc1nc2c([nH]1)cccc2
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.125g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.375g/mol
Monoisotopic Mass:
262.125g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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