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1211479-17-2 | 2-((PIPERIDIN-3-YLMETHYL)THIO)-1H-BENZO[D]IMIDAZOLE HYDROCHLORIDE
CAS No: 1211479-17-2 Catalog No: AG01ASDO MDL No:MFCD15202345
Product Description
Catalog Number:
AG01ASDO
Chemical Name:
2-((PIPERIDIN-3-YLMETHYL)THIO)-1H-BENZO[D]IMIDAZOLE HYDROCHLORIDE
CAS Number:
1211479-17-2
Molecular Formula:
C13H18ClN3S
Molecular Weight:
283.8201
MDL Number:
MFCD15202345
IUPAC Name:
2-(piperidin-3-ylmethylsulfanyl)-1H-benzimidazole;hydrochloride
InChI:
InChI=1S/C13H17N3S.ClH/c1-2-6-12-11(5-1)15-13(16-12)17-9-10-4-3-7-14-8-10;/h1-2,5-6,10,14H,3-4,7-9H2,(H,15,16);1H
InChI Key:
JRRZJNNKSMDGIT-UHFFFAOYSA-N
SMILES:
C1CCC(CN1)CSc1nc2c([nH]1)cccc2.Cl
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.091g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
283.818g/mol
Monoisotopic Mass:
283.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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