3-imidazo[1,2-a]pyridin-3-ylaniline;1-(3-imidazo[1,2-a]pyridin-3-ylphenyl)propan-2-one

C29H25N5O — CID 162147656

About 3-imidazo[1,2-a]pyridin-3-ylaniline;1-(3-imidazo[1,2-a]pyridin-3-ylphenyl)propan-2-one

3-imidazo[1,2-a]pyridin-3-ylaniline;1-(3-imidazo[1,2-a]pyridin-3-ylphenyl)propan-2-one (PubChem CID 162147656) has the molecular formula C29H25N5O and a molecular weight of 459.55 g/mol. Its IUPAC name is 3-imidazo[1,2-a]pyridin-3-ylaniline;1-(3-imidazo[1,2-a]pyridin-3-ylphenyl)propan-2-one.

Molecular Properties

• Compound Name: 3-imidazo[1,2-a]pyridin-3-ylaniline;1-(3-imidazo[1,2-a]pyridin-3-ylphenyl)propan-2-one
• PubChem CID: 162147656
• Molecular Formula: C29H25N5O
• Molecular Weight: 459.55 g/mol
• Exact Mass: 459.21
• IUPAC Name: 3-imidazo[1,2-a]pyridin-3-ylaniline;1-(3-imidazo[1,2-a]pyridin-3-ylphenyl)propan-2-one
• SMILES: CC(=O)Cc1cccc(-c2cnc3ccccn23)c1.Nc1cccc(-c2cnc3ccccn23)c1
• InChI: InChI=1S/C16H14N2O.C13H11N3/c1-12(19)9-13-5-4-6-14(10-13)15-11-17-16-7-2-3-8-18(15)16;14-11-5-3-4-10(8-11)12-9-15-13-6-1-2-7-16(12)13/h2-8,10-11H,9H2,1H3;1-9H,14H2
• InChIKey: ZKTXMDPRFQBNJR-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 77.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.55
LogP ≤ 5	5.72
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;1-(3-imidazo[1,2-a]pyridin-3-ylphenyl)propan-2-one?

The IUPAC name of 3-imidazo[1,2-a]pyridin-3-ylaniline;1-(3-imidazo[1,2-a]pyridin-3-ylphenyl)propan-2-one (CID 162147656) is 3-imidazo[1,2-a]pyridin-3-ylaniline;1-(3-imidazo[1,2-a]pyridin-3-ylphenyl)propan-2-one.

What is the SMILES notation for 3-imidazo[1,2-a]pyridin-3-ylaniline;1-(3-imidazo[1,2-a]pyridin-3-ylphenyl)propan-2-one?

The canonical SMILES for 3-imidazo[1,2-a]pyridin-3-ylaniline;1-(3-imidazo[1,2-a]pyridin-3-ylphenyl)propan-2-one is CC(=O)Cc1cccc(-c2cnc3ccccn23)c1.Nc1cccc(-c2cnc3ccccn23)c1.

What is the InChIKey of 3-imidazo[1,2-a]pyridin-3-ylaniline;1-(3-imidazo[1,2-a]pyridin-3-ylphenyl)propan-2-one?

The InChIKey is ZKTXMDPRFQBNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O.C13H11N3/c1-12(19)9-13-5-4-6-14(10-13)15-11-17-16-7-2-3-8-18(15)16;14-11-5-3-4-10(8-11)12-9-15-13-6-1-2-7-16(12)13/h2-8,10-11H,9H2,1H3;1-9H,14H2.

What are the key properties of 3-imidazo[1,2-a]pyridin-3-ylaniline;1-(3-imidazo[1,2-a]pyridin-3-ylphenyl)propan-2-one?

3-imidazo[1,2-a]pyridin-3-ylaniline;1-(3-imidazo[1,2-a]pyridin-3-ylphenyl)propan-2-one has a molecular weight of 459.55 g/mol, XLogP of 5.72, 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;1-(3-imidazo[1,2-a]pyridin-3-ylphenyl)propan-2-one is sourced from PubChem (CID 162147656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).