2-(4-chlorophenyl)-N,4-dimethylpentan-1-amine;3-(4-chlorophenyl)-2-(5-formylimidazo[1,2-a]pyridin-2-yl)propanoic acid

C30H33Cl2N3O3 — CID 143685880

About 2-(4-chlorophenyl)-N,4-dimethylpentan-1-amine;3-(4-chlorophenyl)-2-(5-formylimidazo[1,2-a]pyridin-2-yl)propanoic acid

2-(4-chlorophenyl)-N,4-dimethylpentan-1-amine;3-(4-chlorophenyl)-2-(5-formylimidazo[1,2-a]pyridin-2-yl)propanoic acid (PubChem CID 143685880) has the molecular formula C30H33Cl2N3O3 and a molecular weight of 554.52 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N,4-dimethylpentan-1-amine;3-(4-chlorophenyl)-2-(5-formylimidazo[1,2-a]pyridin-2-yl)propanoic acid.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-N,4-dimethylpentan-1-amine;3-(4-chlorophenyl)-2-(5-formylimidazo[1,2-a]pyridin-2-yl)propanoic acid
• PubChem CID: 143685880
• Molecular Formula: C30H33Cl2N3O3
• Molecular Weight: 554.52 g/mol
• Exact Mass: 553.19
• IUPAC Name: 2-(4-chlorophenyl)-N,4-dimethylpentan-1-amine;3-(4-chlorophenyl)-2-(5-formylimidazo[1,2-a]pyridin-2-yl)propanoic acid
• SMILES: CNCC(CC(C)C)c1ccc(Cl)cc1.O=Cc1cccc2nc(C(Cc3ccc(Cl)cc3)C(=O)O)cn12
• InChI: InChI=1S/C17H13ClN2O3.C13H20ClN/c18-12-6-4-11(5-7-12)8-14(17(22)23)15-9-20-13(10-21)2-1-3-16(20)19-15;1-10(2)8-12(9-15-3)11-4-6-13(14)7-5-11/h1-7,9-10,14H,8H2,(H,22,23);4-7,10,12,15H,8-9H2,1-3H3
• InChIKey: USRYPEGGEIZWCG-UHFFFAOYSA-N
• XLogP: 6.90
• TPSA: 83.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	554.52
LogP ≤ 5	6.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N,4-dimethylpentan-1-amine;3-(4-chlorophenyl)-2-(5-formylimidazo[1,2-a]pyridin-2-yl)propanoic acid?

The IUPAC name of 2-(4-chlorophenyl)-N,4-dimethylpentan-1-amine;3-(4-chlorophenyl)-2-(5-formylimidazo[1,2-a]pyridin-2-yl)propanoic acid (CID 143685880) is 2-(4-chlorophenyl)-N,4-dimethylpentan-1-amine;3-(4-chlorophenyl)-2-(5-formylimidazo[1,2-a]pyridin-2-yl)propanoic acid.

What is the SMILES notation for 2-(4-chlorophenyl)-N,4-dimethylpentan-1-amine;3-(4-chlorophenyl)-2-(5-formylimidazo[1,2-a]pyridin-2-yl)propanoic acid?

The canonical SMILES for 2-(4-chlorophenyl)-N,4-dimethylpentan-1-amine;3-(4-chlorophenyl)-2-(5-formylimidazo[1,2-a]pyridin-2-yl)propanoic acid is CNCC(CC(C)C)c1ccc(Cl)cc1.O=Cc1cccc2nc(C(Cc3ccc(Cl)cc3)C(=O)O)cn12.

What is the InChIKey of 2-(4-chlorophenyl)-N,4-dimethylpentan-1-amine;3-(4-chlorophenyl)-2-(5-formylimidazo[1,2-a]pyridin-2-yl)propanoic acid?

The InChIKey is USRYPEGGEIZWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3.C13H20ClN/c18-12-6-4-11(5-7-12)8-14(17(22)23)15-9-20-13(10-21)2-1-3-16(20)19-15;1-10(2)8-12(9-15-3)11-4-6-13(14)7-5-11/h1-7,9-10,14H,8H2,(H,22,23);4-7,10,12,15H,8-9H2,1-3H3.

What are the key properties of 2-(4-chlorophenyl)-N,4-dimethylpentan-1-amine;3-(4-chlorophenyl)-2-(5-formylimidazo[1,2-a]pyridin-2-yl)propanoic acid?

2-(4-chlorophenyl)-N,4-dimethylpentan-1-amine;3-(4-chlorophenyl)-2-(5-formylimidazo[1,2-a]pyridin-2-yl)propanoic acid has a molecular weight of 554.52 g/mol, XLogP of 6.90, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-N,4-dimethylpentan-1-amine;3-(4-chlorophenyl)-2-(5-formylimidazo[1,2-a]pyridin-2-yl)propanoic acid is sourced from PubChem (CID 143685880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).