3-imidazo[1,2-a]pyridin-3-ylaniline;3-[3-(pyridin-3-ylmethyl)phenyl]imidazo[1,2-a]pyridine

C32H26N6 — CID 159692385

About 3-imidazo[1,2-a]pyridin-3-ylaniline;3-[3-(pyridin-3-ylmethyl)phenyl]imidazo[1,2-a]pyridine

3-imidazo[1,2-a]pyridin-3-ylaniline;3-[3-(pyridin-3-ylmethyl)phenyl]imidazo[1,2-a]pyridine (PubChem CID 159692385) has the molecular formula C32H26N6 and a molecular weight of 494.60 g/mol. Its IUPAC name is 3-imidazo[1,2-a]pyridin-3-ylaniline;3-[3-(pyridin-3-ylmethyl)phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: 3-imidazo[1,2-a]pyridin-3-ylaniline;3-[3-(pyridin-3-ylmethyl)phenyl]imidazo[1,2-a]pyridine
• PubChem CID: 159692385
• Molecular Formula: C32H26N6
• Molecular Weight: 494.60 g/mol
• Exact Mass: 494.22
• IUPAC Name: 3-imidazo[1,2-a]pyridin-3-ylaniline;3-[3-(pyridin-3-ylmethyl)phenyl]imidazo[1,2-a]pyridine
• SMILES: Nc1cccc(-c2cnc3ccccn23)c1.c1cncc(Cc2cccc(-c3cnc4ccccn34)c2)c1
• InChI: InChI=1S/C19H15N3.C13H11N3/c1-2-10-22-18(14-21-19(22)8-1)17-7-3-5-15(12-17)11-16-6-4-9-20-13-16;14-11-5-3-4-10(8-11)12-9-15-13-6-1-2-7-16(12)13/h1-10,12-14H,11H2;1-9H,14H2
• InChIKey: MWORGHLLYOVEGP-UHFFFAOYSA-N
• XLogP: 6.57
• TPSA: 73.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.60
LogP ≤ 5	6.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-imidazo[1,2-a]pyridin-3-ylaniline;3-[3-(pyridin-3-ylmethyl)phenyl]imidazo[1,2-a]pyridine?

The IUPAC name of 3-imidazo[1,2-a]pyridin-3-ylaniline;3-[3-(pyridin-3-ylmethyl)phenyl]imidazo[1,2-a]pyridine (CID 159692385) is 3-imidazo[1,2-a]pyridin-3-ylaniline;3-[3-(pyridin-3-ylmethyl)phenyl]imidazo[1,2-a]pyridine.

What is the SMILES notation for 3-imidazo[1,2-a]pyridin-3-ylaniline;3-[3-(pyridin-3-ylmethyl)phenyl]imidazo[1,2-a]pyridine?

The canonical SMILES for 3-imidazo[1,2-a]pyridin-3-ylaniline;3-[3-(pyridin-3-ylmethyl)phenyl]imidazo[1,2-a]pyridine is Nc1cccc(-c2cnc3ccccn23)c1.c1cncc(Cc2cccc(-c3cnc4ccccn34)c2)c1.

What is the InChIKey of 3-imidazo[1,2-a]pyridin-3-ylaniline;3-[3-(pyridin-3-ylmethyl)phenyl]imidazo[1,2-a]pyridine?

The InChIKey is MWORGHLLYOVEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3.C13H11N3/c1-2-10-22-18(14-21-19(22)8-1)17-7-3-5-15(12-17)11-16-6-4-9-20-13-16;14-11-5-3-4-10(8-11)12-9-15-13-6-1-2-7-16(12)13/h1-10,12-14H,11H2;1-9H,14H2.

What are the key properties of 3-imidazo[1,2-a]pyridin-3-ylaniline;3-[3-(pyridin-3-ylmethyl)phenyl]imidazo[1,2-a]pyridine?

3-imidazo[1,2-a]pyridin-3-ylaniline;3-[3-(pyridin-3-ylmethyl)phenyl]imidazo[1,2-a]pyridine has a molecular weight of 494.60 g/mol, XLogP of 6.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-imidazo[1,2-a]pyridin-3-ylaniline;3-[3-(pyridin-3-ylmethyl)phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 159692385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).