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Home > Imidazoles > 89446-83-3
89446-83-3 | Piperidine, 1-[2-[(4,5-dihydro-4-phenyl-1H-imidazol-2-yl)thio]ethyl]-
CAS No: 89446-83-3 Catalog No: AG0088G9 MDL No:
Product Description
Catalog Number:
AG0088G9
Chemical Name:
Piperidine, 1-[2-[(4,5-dihydro-4-phenyl-1H-imidazol-2-yl)thio]ethyl]-
CAS Number:
89446-83-3
Molecular Formula:
C16H23N3S
Molecular Weight:
289.4389
IUPAC Name:
1-[2-[(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)sulfanyl]ethyl]piperidine
InChI:
InChI=1S/C16H23N3S/c1-3-7-14(8-4-1)15-13-17-16(18-15)20-12-11-19-9-5-2-6-10-19/h1,3-4,7-8,15H,2,5-6,9-13H2,(H,17,18)
InChI Key:
KJVCVPDPDGWLRP-UHFFFAOYSA-N
SMILES:
C1CCN(CC1)CCSC1=NC(CN1)c1ccccc1
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.161g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.441g/mol
Monoisotopic Mass:
289.161g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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