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Home > Fluorides > 1417794-50-3
1417794-50-3 | 1H-Benzimidazole, 1-[(3-fluorophenyl)methyl]-2-(3-piperidinylmethoxy)-, hydrochloride (1:1)
CAS No: 1417794-50-3 Catalog No: AG001H5Z MDL No:MFCD22631651
Product Description
Catalog Number:
AG001H5Z
Chemical Name:
1H-Benzimidazole, 1-[(3-fluorophenyl)methyl]-2-(3-piperidinylmethoxy)-, hydrochloride (1:1)
CAS Number:
1417794-50-3
Molecular Formula:
C20H23ClFN3O
Molecular Weight:
375.8675
MDL Number:
MFCD22631651
IUPAC Name:
1-[(3-fluorophenyl)methyl]-2-(piperidin-3-ylmethoxy)benzimidazole;hydrochloride
InChI:
InChI=1S/C20H22FN3O.ClH/c21-17-7-3-5-15(11-17)13-24-19-9-2-1-8-18(19)23-20(24)25-14-16-6-4-10-22-12-16;/h1-3,5,7-9,11,16,22H,4,6,10,12-14H2;1H
InChI Key:
KACMKOAVCVBQTO-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)Cn1c(OCC2CCCNC2)nc2c1cccc2.Cl
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.151g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
375.872g/mol
Monoisotopic Mass:
375.151g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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