Home Halogens 1-{1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one hydrochloride

1-{1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one hydrochloride

CAS No.:
1955531-60-8
Catalog Number:
AG01ANEJ
Molecular Formula:
C19H20Cl2FN3O
Molecular Weight:
396.2860
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Product Description
Catalog Number:
AG01ANEJ
Chemical Name:
1-{1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl}-2,3-dihydro-1H-1,3-benzodiazol-2-one hydrochloride
CAS Number:
1955531-60-8
Molecular Formula:
C19H20Cl2FN3O
Molecular Weight:
396.2860
MDL Number:
MFCD29034244
IUPAC Name:
3-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride
InChI:
InChI=1S/C19H19ClFN3O.ClH/c20-16-11-14(21)6-5-13(16)12-23-9-7-15(8-10-23)24-18-4-2-1-3-17(18)22-19(24)25;/h1-6,11,15H,7-10,12H2,(H,22,25);1H
InChI Key:
NIOBRIGQIYJUCG-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)Cl)CN1CCC(CC1)n1c(=O)[nH]c2c1cccc2.Cl
Properties
Complexity:
485  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.097g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
396.287g/mol
Monoisotopic Mass:
395.097g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties