1-(2,4-dichlorophenyl)-N-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanimine

C20H12Cl2N4O2 — CID 1124710

About 1-(2,4-dichlorophenyl)-N-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanimine

1-(2,4-dichlorophenyl)-N-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanimine (PubChem CID 1124710) has the molecular formula C20H12Cl2N4O2 and a molecular weight of 411.25 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanimine.

Molecular Properties

• Compound Name: 1-(2,4-dichlorophenyl)-N-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanimine
• PubChem CID: 1124710
• Molecular Formula: C20H12Cl2N4O2
• Molecular Weight: 411.25 g/mol
• Exact Mass: 410.03
• IUPAC Name: 1-(2,4-dichlorophenyl)-N-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanimine
• SMILES: O=[N+]([O-])c1cccc(-c2nc3ccccn3c2N=Cc2ccc(Cl)cc2Cl)c1
• InChI: InChI=1S/C20H12Cl2N4O2/c21-15-8-7-14(17(22)11-15)12-23-20-19(24-18-6-1-2-9-25(18)20)13-4-3-5-16(10-13)26(27)28/h1-12H
• InChIKey: WZWBBRMHTNDOGZ-UHFFFAOYSA-N
• XLogP: 5.97
• TPSA: 72.80 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	411.25
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanimine?

The IUPAC name of 1-(2,4-dichlorophenyl)-N-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanimine (CID 1124710) is 1-(2,4-dichlorophenyl)-N-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanimine.

What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanimine?

The canonical SMILES for 1-(2,4-dichlorophenyl)-N-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanimine is O=[N+]([O-])c1cccc(-c2nc3ccccn3c2N=Cc2ccc(Cl)cc2Cl)c1.

What is the InChIKey of 1-(2,4-dichlorophenyl)-N-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanimine?

The InChIKey is WZWBBRMHTNDOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2N4O2/c21-15-8-7-14(17(22)11-15)12-23-20-19(24-18-6-1-2-9-25(18)20)13-4-3-5-16(10-13)26(27)28/h1-12H.

What are the key properties of 1-(2,4-dichlorophenyl)-N-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanimine?

1-(2,4-dichlorophenyl)-N-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanimine has a molecular weight of 411.25 g/mol, XLogP of 5.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,4-dichlorophenyl)-N-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanimine is sourced from PubChem (CID 1124710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).