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

C22H16ClN3 — CID 51360052

IUPAC4-[6-chloro-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile
SMILESCc1ccc(Cc2c(-c3ccc(C#N)cc3)nc3ccc(Cl)cn23)cc1
InChIInChI=1S/C22H16ClN3/c1-15-2-4-16(5-3-15)12-20-22(18-8-6-17(13-24)7-9-18)25-21-11-10-19(23)14-26(20)21/h2-11,14H,12H2,1H3
InChIKeyFVLQYOBXVVYYNW-UHFFFAOYSA-N
MW357.84 g/mol
LogP5.43
Rot. Bonds3

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

4-[6-chloro-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile (PubChem CID 51360052) has the molecular formula C22H16ClN3 and a molecular weight of 357.84 g/mol. Its IUPAC name is 4-[6-chloro-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[6-chloro-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile
PubChem CID51360052
Molecular FormulaC22H16ClN3
Molecular Weight357.84 g/mol
Exact Mass357.10
IUPAC Name4-[6-chloro-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile
SMILESCc1ccc(Cc2c(-c3ccc(C#N)cc3)nc3ccc(Cl)cn23)cc1
InChIInChI=1S/C22H16ClN3/c1-15-2-4-16(5-3-15)12-20-22(18-8-6-17(13-24)7-9-18)25-21-11-10-19(23)14-26(20)21/h2-11,14H,12H2,1H3
InChIKeyFVLQYOBXVVYYNW-UHFFFAOYSA-N
XLogP5.43
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.84
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-3-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine
CID 46904877
6-chloro-3-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 51360074
4-[6-chloro-3-[[(4-chloro-6-methylpyrimidin-2-yl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile
CID 86655121
[6-chloro-2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199144
[6-chloro-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]methanol
CID 82223169
6-chloro-3-(chloromethyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine;hydrochloride
CID 67028658
6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 63618450
N-methyl-1-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 70326815
2-(3-chlorophenyl)-3-[(3-chlorophenyl)methyl]-6-methylimidazo[1,2-a]pyridine
CID 51359989
2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
CID 131993555
2-[6-bromo-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 82030121
6-chloro-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 82530278

Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile?
The IUPAC name of 4-[6-chloro-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile (CID 51360052) is 4-[6-chloro-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile.
What is the SMILES notation for 4-[6-chloro-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile?
The canonical SMILES for 4-[6-chloro-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile is Cc1ccc(Cc2c(-c3ccc(C#N)cc3)nc3ccc(Cl)cn23)cc1.
What is the InChIKey of 4-[6-chloro-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile?
The InChIKey is FVLQYOBXVVYYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3/c1-15-2-4-16(5-3-15)12-20-22(18-8-6-17(13-24)7-9-18)25-21-11-10-19(23)14-26(20)21/h2-11,14H,12H2,1H3.
What are the key properties of 4-[6-chloro-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile?
4-[6-chloro-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile has a molecular weight of 357.84 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile is sourced from PubChem (CID 51360052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).