7-chloro-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbonitrile

C16H12ClN3 — CID 82529903

IUPAC7-chloro-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCc1ccc(Cc2nc3cc(Cl)ccn3c2C#N)cc1
InChIInChI=1S/C16H12ClN3/c1-11-2-4-12(5-3-11)8-14-15(10-18)20-7-6-13(17)9-16(20)19-14/h2-7,9H,8H2,1H3
InChIKeyIGKBVYLFXYSJAW-UHFFFAOYSA-N
MW281.75 g/mol
LogP3.76
Rot. Bonds2

About 7-chloro-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbonitrile

7-chloro-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 82529903) has the molecular formula C16H12ClN3 and a molecular weight of 281.75 g/mol. Its IUPAC name is 7-chloro-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name7-chloro-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID82529903
Molecular FormulaC16H12ClN3
Molecular Weight281.75 g/mol
Exact Mass281.07
IUPAC Name7-chloro-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCc1ccc(Cc2nc3cc(Cl)ccn3c2C#N)cc1
InChIInChI=1S/C16H12ClN3/c1-11-2-4-12(5-3-11)8-14-15(10-18)20-7-6-13(17)9-16(20)19-14/h2-7,9H,8H2,1H3
InChIKeyIGKBVYLFXYSJAW-UHFFFAOYSA-N
XLogP3.76
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 82529905
7-chloro-2-(4-ethylphenyl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 82343141
2,7-dichloroimidazo[1,2-a]pyridine-3-carbonitrile
CID 82343163
2-[(4-methoxyphenyl)methyl]-6-methylimidazo[1,2-a]pyridine-3-carbonitrile
CID 82223229
7-chloro-3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117144572
2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbonitrile
CID 82223440
7-chloro-2-(2-methoxy-5-methylphenyl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 82343148
2-[(4-chlorophenyl)methyl]-6-fluoroimidazo[1,2-a]pyridine-3-carbonitrile
CID 82223727
[2-[(4-chlorophenyl)methyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methanol
CID 82223695
7-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 82343144
7-chloro-2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117135194
3-[(7-chloro-3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 122060780

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 7-chloro-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbonitrile (CID 82529903) is 7-chloro-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 7-chloro-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 7-chloro-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbonitrile is Cc1ccc(Cc2nc3cc(Cl)ccn3c2C#N)cc1.
What is the InChIKey of 7-chloro-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is IGKBVYLFXYSJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3/c1-11-2-4-12(5-3-11)8-14-15(10-18)20-7-6-13(17)9-16(20)19-14/h2-7,9H,8H2,1H3.
What are the key properties of 7-chloro-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbonitrile?
7-chloro-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 281.75 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 82529903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).