1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile

2.1.2 InChI

InChI=1S/C17H15N3/c1-12-3-6-14(7-4-12)17-15(9-10-18)20-11-13(2)5-8-16(20)19-17/h3-8,11H,9H2,1-2H3

2.1.3 InChI Key

OLZONQCQODMZSS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC#N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 768398-03-4

2. (6-methyl-2-p-tolyl-imidazo[1,2-a]pyridin-3-yl)-acetonitrile

3. 2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile

4. 6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-acetonitrile

5. 6-methyl-2-(4-methylphenyl)-imidazo[1,2-a]pyridine-3-acetonitrile

6. Schembl2775807

7. Dtxsid001172973

8. Zinc22011916

9. Akos022235479

10. (6-methyl-2-p-tolyl-imidazo1,2-apyridin-3-yl)-acetonitrile

11. 2-(4-methylphenyl)-6-methylimidazol[1,2-a]pyridine-3-acetonitrile

2.3 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₁₅N₃
Molecular Weight	261.32 g/mol
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	261.126597491 g/mol
Monoisotopic Mass	261.126597491 g/mol
Topological Polar Surface Area	41.1 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	377
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

2-(6-Methyl-2-(P-Tolyl)Imidazo[1,2-A]Pyridin-3-Yl)Acetonitrile