2-naphthalen-2-yl-3-[[4-[(2-naphthalen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine

C38H32N8 — CID 122183056

About 2-naphthalen-2-yl-3-[[4-[(2-naphthalen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine

2-naphthalen-2-yl-3-[[4-[(2-naphthalen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine (PubChem CID 122183056) has the molecular formula C38H32N8 and a molecular weight of 600.73 g/mol. Its IUPAC name is 2-naphthalen-2-yl-3-[[4-[(2-naphthalen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

• Compound Name: 2-naphthalen-2-yl-3-[[4-[(2-naphthalen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
• PubChem CID: 122183056
• Molecular Formula: C38H32N8
• Molecular Weight: 600.73 g/mol
• Exact Mass: 600.27
• IUPAC Name: 2-naphthalen-2-yl-3-[[4-[(2-naphthalen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
• SMILES: c1ccc2cc(-c3nc4ncccn4c3CN3CCN(Cc4c(-c5ccc6ccccc6c5)nc5ncccn45)CC3)ccc2c1
• InChI: InChI=1S/C38H32N8/c1-3-9-29-23-31(13-11-27(29)7-1)35-33(45-17-5-15-39-37(45)41-35)25-43-19-21-44(22-20-43)26-34-36(42-38-40-16-6-18-46(34)38)32-14-12-28-8-2-4-10-30(28)24-32/h1-18,23-24H,19-22,25-26H2
• InChIKey: UOFVOXSYFBDMBT-UHFFFAOYSA-N
• XLogP: 6.73
• TPSA: 66.86 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.73
LogP ≤ 5	6.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-3-[[4-[(2-naphthalen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine?

The IUPAC name of 2-naphthalen-2-yl-3-[[4-[(2-naphthalen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine (CID 122183056) is 2-naphthalen-2-yl-3-[[4-[(2-naphthalen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine.

What is the SMILES notation for 2-naphthalen-2-yl-3-[[4-[(2-naphthalen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine?

The canonical SMILES for 2-naphthalen-2-yl-3-[[4-[(2-naphthalen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine is c1ccc2cc(-c3nc4ncccn4c3CN3CCN(Cc4c(-c5ccc6ccccc6c5)nc5ncccn45)CC3)ccc2c1.

What is the InChIKey of 2-naphthalen-2-yl-3-[[4-[(2-naphthalen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine?

The InChIKey is UOFVOXSYFBDMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N8/c1-3-9-29-23-31(13-11-27(29)7-1)35-33(45-17-5-15-39-37(45)41-35)25-43-19-21-44(22-20-43)26-34-36(42-38-40-16-6-18-46(34)38)32-14-12-28-8-2-4-10-30(28)24-32/h1-18,23-24H,19-22,25-26H2.

What are the key properties of 2-naphthalen-2-yl-3-[[4-[(2-naphthalen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine?

2-naphthalen-2-yl-3-[[4-[(2-naphthalen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine has a molecular weight of 600.73 g/mol, XLogP of 6.73, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-naphthalen-2-yl-3-[[4-[(2-naphthalen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 122183056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).