2-(4-chlorophenyl)-5-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-hydroxymethyl]imidazo[1,2-a]pyridine-3-carbaldehyde

C28H18Cl2N4O2 — CID 137362212

About 2-(4-chlorophenyl)-5-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-hydroxymethyl]imidazo[1,2-a]pyridine-3-carbaldehyde

2-(4-chlorophenyl)-5-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-hydroxymethyl]imidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 137362212) has the molecular formula C28H18Cl2N4O2 and a molecular weight of 513.38 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-hydroxymethyl]imidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-5-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-hydroxymethyl]imidazo[1,2-a]pyridine-3-carbaldehyde
• PubChem CID: 137362212
• Molecular Formula: C28H18Cl2N4O2
• Molecular Weight: 513.38 g/mol
• Exact Mass: 512.08
• IUPAC Name: 2-(4-chlorophenyl)-5-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-hydroxymethyl]imidazo[1,2-a]pyridine-3-carbaldehyde
• SMILES: O=Cc1c(-c2ccc(Cl)cc2)nc2cccc(C(O)c3c(-c4ccc(Cl)cc4)nc4ccccn34)n12
• InChI: InChI=1S/C28H18Cl2N4O2/c29-19-11-7-17(8-12-19)25-22(16-35)34-21(4-3-6-24(34)32-25)28(36)27-26(18-9-13-20(30)14-10-18)31-23-5-1-2-15-33(23)27/h1-16,28,36H
• InChIKey: OVYCXIFYOVSKRM-UHFFFAOYSA-N
• XLogP: 6.52
• TPSA: 71.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.38
LogP ≤ 5	6.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-hydroxymethyl]imidazo[1,2-a]pyridine-3-carbaldehyde?

The IUPAC name of 2-(4-chlorophenyl)-5-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-hydroxymethyl]imidazo[1,2-a]pyridine-3-carbaldehyde (CID 137362212) is 2-(4-chlorophenyl)-5-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-hydroxymethyl]imidazo[1,2-a]pyridine-3-carbaldehyde.

What is the SMILES notation for 2-(4-chlorophenyl)-5-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-hydroxymethyl]imidazo[1,2-a]pyridine-3-carbaldehyde?

The canonical SMILES for 2-(4-chlorophenyl)-5-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-hydroxymethyl]imidazo[1,2-a]pyridine-3-carbaldehyde is O=Cc1c(-c2ccc(Cl)cc2)nc2cccc(C(O)c3c(-c4ccc(Cl)cc4)nc4ccccn34)n12.

What is the InChIKey of 2-(4-chlorophenyl)-5-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-hydroxymethyl]imidazo[1,2-a]pyridine-3-carbaldehyde?

The InChIKey is OVYCXIFYOVSKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18Cl2N4O2/c29-19-11-7-17(8-12-19)25-22(16-35)34-21(4-3-6-24(34)32-25)28(36)27-26(18-9-13-20(30)14-10-18)31-23-5-1-2-15-33(23)27/h1-16,28,36H.

What are the key properties of 2-(4-chlorophenyl)-5-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-hydroxymethyl]imidazo[1,2-a]pyridine-3-carbaldehyde?

2-(4-chlorophenyl)-5-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-hydroxymethyl]imidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 513.38 g/mol, XLogP of 6.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-5-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-hydroxymethyl]imidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 137362212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).