3-[(E)-2-(4-chlorophenyl)ethenyl]-1-phenylimidazo[1,5-a]pyridine

C21H15ClN2 — CID 6006165

IUPAC3-[(E)-2-(4-chlorophenyl)ethenyl]-1-phenylimidazo[1,5-a]pyridine
SMILESClc1ccc(/C=C/c2nc(-c3ccccc3)c3ccccn23)cc1
InChIInChI=1S/C21H15ClN2/c22-18-12-9-16(10-13-18)11-14-20-23-21(17-6-2-1-3-7-17)19-8-4-5-15-24(19)20/h1-15H/b14-11+
InChIKeySNJNYMKJOGOJLT-SDNWHVSQSA-N
MW330.82 g/mol
LogP5.83
Rot. Bonds3

About 3-[(E)-2-(4-chlorophenyl)ethenyl]-1-phenylimidazo[1,5-a]pyridine

3-[(E)-2-(4-chlorophenyl)ethenyl]-1-phenylimidazo[1,5-a]pyridine (PubChem CID 6006165) has the molecular formula C21H15ClN2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 3-[(E)-2-(4-chlorophenyl)ethenyl]-1-phenylimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-[(E)-2-(4-chlorophenyl)ethenyl]-1-phenylimidazo[1,5-a]pyridine
PubChem CID6006165
Molecular FormulaC21H15ClN2
Molecular Weight330.82 g/mol
Exact Mass330.09
IUPAC Name3-[(E)-2-(4-chlorophenyl)ethenyl]-1-phenylimidazo[1,5-a]pyridine
SMILESClc1ccc(/C=C/c2nc(-c3ccccc3)c3ccccn23)cc1
InChIInChI=1S/C21H15ClN2/c22-18-12-9-16(10-13-18)11-14-20-23-21(17-6-2-1-3-7-17)19-8-4-5-15-24(19)20/h1-15H/b14-11+
InChIKeySNJNYMKJOGOJLT-SDNWHVSQSA-N
XLogP5.83
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.82
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-chlorophenyl)ethenyl]-1-phenylimidazo[1,5-a]pyridine?
The IUPAC name of 3-[(E)-2-(4-chlorophenyl)ethenyl]-1-phenylimidazo[1,5-a]pyridine (CID 6006165) is 3-[(E)-2-(4-chlorophenyl)ethenyl]-1-phenylimidazo[1,5-a]pyridine.
What is the SMILES notation for 3-[(E)-2-(4-chlorophenyl)ethenyl]-1-phenylimidazo[1,5-a]pyridine?
The canonical SMILES for 3-[(E)-2-(4-chlorophenyl)ethenyl]-1-phenylimidazo[1,5-a]pyridine is Clc1ccc(/C=C/c2nc(-c3ccccc3)c3ccccn23)cc1.
What is the InChIKey of 3-[(E)-2-(4-chlorophenyl)ethenyl]-1-phenylimidazo[1,5-a]pyridine?
The InChIKey is SNJNYMKJOGOJLT-SDNWHVSQSA-N. The full InChI is InChI=1S/C21H15ClN2/c22-18-12-9-16(10-13-18)11-14-20-23-21(17-6-2-1-3-7-17)19-8-4-5-15-24(19)20/h1-15H/b14-11+.
What are the key properties of 3-[(E)-2-(4-chlorophenyl)ethenyl]-1-phenylimidazo[1,5-a]pyridine?
3-[(E)-2-(4-chlorophenyl)ethenyl]-1-phenylimidazo[1,5-a]pyridine has a molecular weight of 330.82 g/mol, XLogP of 5.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-chlorophenyl)ethenyl]-1-phenylimidazo[1,5-a]pyridine is sourced from PubChem (CID 6006165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).