2-[(4-ethylphenyl)methyl]-5-methylimidazo[1,2-a]pyridine-3-carbonitrile

C18H17N3 — CID 82223325

IUPAC2-[(4-ethylphenyl)methyl]-5-methylimidazo[1,2-a]pyridine-3-carbonitrile
SMILESCCc1ccc(Cc2nc3cccc(C)n3c2C#N)cc1
InChIInChI=1S/C18H17N3/c1-3-14-7-9-15(10-8-14)11-16-17(12-19)21-13(2)5-4-6-18(21)20-16/h4-10H,3,11H2,1-2H3
InChIKeyMCDZLWBRGJBBPO-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.67
Rot. Bonds3

About 2-[(4-ethylphenyl)methyl]-5-methylimidazo[1,2-a]pyridine-3-carbonitrile

2-[(4-ethylphenyl)methyl]-5-methylimidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 82223325) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)methyl]-5-methylimidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(4-ethylphenyl)methyl]-5-methylimidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID82223325
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name2-[(4-ethylphenyl)methyl]-5-methylimidazo[1,2-a]pyridine-3-carbonitrile
SMILESCCc1ccc(Cc2nc3cccc(C)n3c2C#N)cc1
InChIInChI=1S/C18H17N3/c1-3-14-7-9-15(10-8-14)11-16-17(12-19)21-13(2)5-4-6-18(21)20-16/h4-10H,3,11H2,1-2H3
InChIKeyMCDZLWBRGJBBPO-UHFFFAOYSA-N
XLogP3.67
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenyl)methyl]-5-methylimidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 2-[(4-ethylphenyl)methyl]-5-methylimidazo[1,2-a]pyridine-3-carbonitrile (CID 82223325) is 2-[(4-ethylphenyl)methyl]-5-methylimidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(4-ethylphenyl)methyl]-5-methylimidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(4-ethylphenyl)methyl]-5-methylimidazo[1,2-a]pyridine-3-carbonitrile is CCc1ccc(Cc2nc3cccc(C)n3c2C#N)cc1.
What is the InChIKey of 2-[(4-ethylphenyl)methyl]-5-methylimidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is MCDZLWBRGJBBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-3-14-7-9-15(10-8-14)11-16-17(12-19)21-13(2)5-4-6-18(21)20-16/h4-10H,3,11H2,1-2H3.
What are the key properties of 2-[(4-ethylphenyl)methyl]-5-methylimidazo[1,2-a]pyridine-3-carbonitrile?
2-[(4-ethylphenyl)methyl]-5-methylimidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 275.36 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)methyl]-5-methylimidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 82223325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).