Abemaciclib Impurity 18

CAT: 1596-AR-A05196-05Size: 150Dry Ice: NoHazardous: No

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CAT#:1596-AR-A05196-05Size:150

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1528469-78-4

Synonyms

4-Fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazole

Molecular Formula

C11H13FN2

Molecular Weight

192.24

API Name

Abemaciclib

Chemical Information

4-Fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazole

CAS Number	1528469-78-4
PubChem CID	83449707
IUPAC Name	4-fluoro-2-methyl-1-propan-2-ylbenzimidazole
Molecular Formula	C11H13FN2
Molecular Weight	192.23
XLogP	2.6
Topological Polar Surface Area	17.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	207

SMILES

CC1=NC2=C(N1C(C)C)C=CC=C2F

InChI

InChI=1S/C11H13FN2/c1-7(2)14-8(3)13-11-9(12)5-4-6-10(11)14/h4-7H,1-3H3

InChIKey

ZVFJFEGSVJUASC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1528469-78-4

CID: 83449707

Formula: C11H13FN2

MW: 192.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	192.23
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	192.10627659
Monoisotopic Mass	192.10627659
Topological Polar Surface Area	17.8 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	207
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