SCH 28080

CAT: 0926-BDA08198-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-BDA08198-01Size:50 mg

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CAS Number

76081-98-6

MDL Number

MFCD00834620

Smiles

CC1=C (N2C=CC=C (C2=N1) OCC3=CC=CC=C3) CC#N

Molecular Formula

C17H15N3O

Molecular Weight

277.33 g/mol

Controlled

Chemical Information

Sch 28080

2-(2-methyl-8-phenylmethoxy-3-imidazo[1,2-a]pyridinyl)acetonitrile is an imidazopyridine.

CAS Number	76081-98-6
PubChem CID	108137
IUPAC Name	2-(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)acetonitrile
Molecular Formula	C17H15N3O
Molecular Weight	277.32
XLogP	3.3
Topological Polar Surface Area	50.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	21
Formal Charge	0
Complexity	385

SMILES

CC1=C(N2C=CC=C(C2=N1)OCC3=CC=CC=C3)CC#N

InChI

InChI=1S/C17H15N3O/c1-13-15(9-10-18)20-11-5-8-16(17(20)19-13)21-12-14-6-3-2-4-7-14/h2-8,11H,9,12H2,1H3

InChIKey

PYKJFEPAUKAXNN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 76081-98-6

CID: 108137

Formula: C17H15N3O

MW: 277.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	277.32
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	277.121512110
Monoisotopic Mass	277.121512110
Topological Polar Surface Area	50.3 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	385
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

Catalog	Name
256630-01	SCH 28080
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