ChX710

CAT: 0127-BUP15274-06Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP15274-06Size:200 mg

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

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CAS Number

2438721-44-7

Purity

=98%

Smiles

CC(CN(C)C)NC(=O)c1cccc2nc([nH]c12)-c1ccncc1

Chemical Information

N-(1-(Dimethylamino)propan-2-yl)-2-(pyridin-4-yl)-1H-benzo[d]imidazole-7-carboxamide

CAS Number	2438721-44-7
PubChem CID	135397145
IUPAC Name	N-[1-(dimethylamino)propan-2-yl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide
Molecular Formula	C18H21N5O
Molecular Weight	323.4
XLogP	1.8
Topological Polar Surface Area	73.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	24
Formal Charge	0
Complexity	424

SMILES

CC(CN(C)C)NC(=O)C1=C2C(=CC=C1)NC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C18H21N5O/c1-12(11-23(2)3)20-18(24)14-5-4-6-15-16(14)22-17(21-15)13-7-9-19-10-8-13/h4-10,12H,11H2,1-3H3,(H,20,24)(H,21,22)

InChIKey

HCAALGAOSBFHFP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2438721-44-7

CID: 135397145

Formula: C18H21N5O

MW: 323.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	323.4
XLogP3	1.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	323.17461031
Monoisotopic Mass	323.17461031
Topological Polar Surface Area	73.9 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	424
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BA6269-10	ChX710