Dabigatran Impurity 55

CAT: 1596-AR-D06197-02Size: 25 UnitsDry Ice: NoHazardous: No

1 / 1

CAT#:1596-AR-D06197-02Size:25 Units

Selected

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

Quick Request Actions

CAS Number

1702936-92-2

Synonyms

Ethyl 3- (1-methyl-N- (pyridin-2-yl) -1H-benzo[d]imidazole-5-carboxamido) propanoate

Molecular Formula

C19H20N4O3

Molecular Weight

352.39

API Name

Dabigatran

Chemical Information

Ethyl 3-(1-methyl-n-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate

CAS Number	1702936-92-2
PubChem CID	131874921
IUPAC Name	ethyl 3-[(1-methylbenzimidazole-5-carbonyl)-pyridin-2-ylamino]propanoate
Molecular Formula	C19H20N4O3
Molecular Weight	352.4
XLogP	1.9
Topological Polar Surface Area	77.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	26
Formal Charge	0
Complexity	501

SMILES

CCOC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)N(C=N3)C

InChI

InChI=1S/C19H20N4O3/c1-3-26-18(24)9-11-23(17-6-4-5-10-20-17)19(25)14-7-8-16-15(12-14)21-13-22(16)2/h4-8,10,12-13H,3,9,11H2,1-2H3

InChIKey

PEQXDEDRNLSFNJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1702936-92-2

CID: 131874921

Formula: C19H20N4O3

MW: 352.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	352.4
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	352.15354051
Monoisotopic Mass	352.15354051
Topological Polar Surface Area	77.3 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	501
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