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Home > Imidazoles > 1177325-67-5
1177325-67-5 | 2-(PIPERIDIN-4-YLTHIO)-1H-BENZO[D]IMIDAZOLE HYDROCHLORIDE
CAS No: 1177325-67-5 Catalog No: AG01ASC9 MDL No:MFCD11559907
Product Description
Catalog Number:
AG01ASC9
Chemical Name:
2-(PIPERIDIN-4-YLTHIO)-1H-BENZO[D]IMIDAZOLE HYDROCHLORIDE
CAS Number:
1177325-67-5
Molecular Formula:
C12H16ClN3S
Molecular Weight:
269.7935
MDL Number:
MFCD11559907
IUPAC Name:
2-piperidin-4-ylsulfanyl-1H-benzimidazole;hydrochloride
InChI:
InChI=1S/C12H15N3S.ClH/c1-2-4-11-10(3-1)14-12(15-11)16-9-5-7-13-8-6-9;/h1-4,9,13H,5-8H2,(H,14,15);1H
InChI Key:
JCVHYZPZXWIYSG-UHFFFAOYSA-N
SMILES:
N1CCC(CC1)Sc1nc2c([nH]1)cccc2.Cl
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.075g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
269.791g/mol
Monoisotopic Mass:
269.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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