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CID 17945956

PubChem CID
17945956
Structure
CID 17945956_small.png
Molecular Formula
Status
Non-live
Molecular Weight
366.4 g/mol
Dates
  • Create:
    2007-12-04

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 17945956.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide;acetate

2.1.2 InChI

InChI=1S/C19H21N3O.C2H4O2/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19;1-2(3)4/h5-10,12H,11H2,1-4H3;1H3,(H,3,4)/p-1

2.1.3 InChIKey

IJECBTGQTVKQKD-UHFFFAOYSA-M

2.1.4 SMILES

CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC(=O)N(C)C.CC(=O)[O-]

2.2 Molecular Formula

C21H24N3O3-

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
366.4 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
366.18176664 g/mol
Property Name
Monoisotopic Mass
Property Value
366.18176664 g/mol
Property Name
Topological Polar Surface Area
Property Value
77.7 A^2
Property Name
Heavy Atom Count
Property Value
27
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
442
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
2
Property Name
Compound Is Canonicalized
Property Value
Yes

5 Information Sources

CONTENTS