2-(2,4,6-trimethylphenyl)selanylimidazo[1,2-a]pyridine-3-carbaldehyde

C17H16N2OSe — CID 132606237

IUPAC2-(2,4,6-trimethylphenyl)selanylimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCc1cc(C)c([Se]c2nc3ccccn3c2C=O)c(C)c1
InChIInChI=1S/C17H16N2OSe/c1-11-8-12(2)16(13(3)9-11)21-17-14(10-20)19-7-5-4-6-15(19)18-17/h4-10H,1-3H3
InChIKeyBJEVXZQNGIRNTR-UHFFFAOYSA-N
MW343.29 g/mol
LogP1.73
Rot. Bonds3

About 2-(2,4,6-trimethylphenyl)selanylimidazo[1,2-a]pyridine-3-carbaldehyde

2-(2,4,6-trimethylphenyl)selanylimidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 132606237) has the molecular formula C17H16N2OSe and a molecular weight of 343.29 g/mol. Its IUPAC name is 2-(2,4,6-trimethylphenyl)selanylimidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(2,4,6-trimethylphenyl)selanylimidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID132606237
Molecular FormulaC17H16N2OSe
Molecular Weight343.29 g/mol
Exact Mass344.04
IUPAC Name2-(2,4,6-trimethylphenyl)selanylimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCc1cc(C)c([Se]c2nc3ccccn3c2C=O)c(C)c1
InChIInChI=1S/C17H16N2OSe/c1-11-8-12(2)16(13(3)9-11)21-17-14(10-20)19-7-5-4-6-15(19)18-17/h4-10H,1-3H3
InChIKeyBJEVXZQNGIRNTR-UHFFFAOYSA-N
XLogP1.73
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trimethylphenyl)selanylimidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-(2,4,6-trimethylphenyl)selanylimidazo[1,2-a]pyridine-3-carbaldehyde (CID 132606237) is 2-(2,4,6-trimethylphenyl)selanylimidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(2,4,6-trimethylphenyl)selanylimidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-(2,4,6-trimethylphenyl)selanylimidazo[1,2-a]pyridine-3-carbaldehyde is Cc1cc(C)c([Se]c2nc3ccccn3c2C=O)c(C)c1.
What is the InChIKey of 2-(2,4,6-trimethylphenyl)selanylimidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is BJEVXZQNGIRNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OSe/c1-11-8-12(2)16(13(3)9-11)21-17-14(10-20)19-7-5-4-6-15(19)18-17/h4-10H,1-3H3.
What are the key properties of 2-(2,4,6-trimethylphenyl)selanylimidazo[1,2-a]pyridine-3-carbaldehyde?
2-(2,4,6-trimethylphenyl)selanylimidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 343.29 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trimethylphenyl)selanylimidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 132606237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).