Mizolastine Impurity 11

CAT: 1596-AR-M04979-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-M04979-01Size:10 Units

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CAS Number

1569097-23-9

Molecular Formula

C16H16FN3

Molecular Weight

269.32

API Name

Mizolastine

Chemical Information

Mizolastine Impurity 8

CAS Number	1569097-23-9
PubChem CID	72702181
IUPAC Name	1-[(4-fluorophenyl)methyl]-N,N-dimethylbenzimidazol-2-amine
Molecular Formula	C16H16FN3
Molecular Weight	269.32
XLogP	3.6
Topological Polar Surface Area	21.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	20
Formal Charge	0
Complexity	315

SMILES

CN(C)C1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)F

InChI

InChI=1S/C16H16FN3/c1-19(2)16-18-14-5-3-4-6-15(14)20(16)11-12-7-9-13(17)10-8-12/h3-10H,11H2,1-2H3

InChIKey

VKUIEFZATODFBG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1569097-23-9

CID: 72702181

Formula: C16H16FN3

MW: 269.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	269.32
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	269.13282569
Monoisotopic Mass	269.13282569
Topological Polar Surface Area	21.1 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	315
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes