About 2-(4-methylphenyl)-3-[[4-[[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
2-(4-methylphenyl)-3-[[4-[[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine (PubChem CID 122183051) has the molecular formula C32H32N8
and a molecular weight of 528.66 g/mol. Its IUPAC name is 2-(4-methylphenyl)-3-[[4-[[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine.
Molecular Properties
| Compound Name | 2-(4-methylphenyl)-3-[[4-[[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine |
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| PubChem CID | 122183051 |
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| Molecular Formula | C32H32N8 |
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| Molecular Weight | 528.66 g/mol |
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| Exact Mass | 528.27 |
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| IUPAC Name | 2-(4-methylphenyl)-3-[[4-[[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine |
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| SMILES | Cc1ccc(-c2nc3ncccn3c2CN2CCN(Cc3c(-c4ccc(C)cc4)nc4ncccn34)CC2)cc1 |
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| InChI | InChI=1S/C32H32N8/c1-23-5-9-25(10-6-23)29-27(39-15-3-13-33-31(39)35-29)21-37-17-19-38(20-18-37)22-28-30(26-11-7-24(2)8-12-26)36-32-34-14-4-16-40(28)32/h3-16H,17-22H2,1-2H3 |
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| InChIKey | UJLMWGDLSHCKEJ-UHFFFAOYSA-N |
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| XLogP | 5.04 |
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| TPSA | 66.86 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 40 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 528.66 |
| LogP ≤ 5 | 5.04 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze 2-(4-methylphenyl)-3-[[4-[[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-(4-methylphenyl)-3-[[4-[[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-(4-methylphenyl)-3-[[4-[[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine (CID 122183051) is 2-(4-methylphenyl)-3-[[4-[[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-(4-methylphenyl)-3-[[4-[[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-(4-methylphenyl)-3-[[4-[[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine is Cc1ccc(-c2nc3ncccn3c2CN2CCN(Cc3c(-c4ccc(C)cc4)nc4ncccn34)CC2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-3-[[4-[[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
The InChIKey is UJLMWGDLSHCKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N8/c1-23-5-9-25(10-6-23)29-27(39-15-3-13-33-31(39)35-29)21-37-17-19-38(20-18-37)22-28-30(26-11-7-24(2)8-12-26)36-32-34-14-4-16-40(28)32/h3-16H,17-22H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-3-[[4-[[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
2-(4-methylphenyl)-3-[[4-[[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine has a molecular weight of 528.66 g/mol, XLogP of 5.04, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-3-[[4-[[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 122183051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).