About 2-(4-bromophenyl)-3-[[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
2-(4-bromophenyl)-3-[[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine (PubChem CID 122183061) has the molecular formula C30H26Br2N8
and a molecular weight of 658.40 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-[[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine.
Molecular Properties
| Compound Name | 2-(4-bromophenyl)-3-[[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine |
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| PubChem CID | 122183061 |
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| Molecular Formula | C30H26Br2N8 |
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| Molecular Weight | 658.40 g/mol |
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| Exact Mass | 656.06 |
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| IUPAC Name | 2-(4-bromophenyl)-3-[[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine |
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| SMILES | Brc1ccc(-c2nc3ncccn3c2CN2CCN(Cc3c(-c4ccc(Br)cc4)nc4ncccn34)CC2)cc1 |
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| InChI | InChI=1S/C30H26Br2N8/c31-23-7-3-21(4-8-23)27-25(39-13-1-11-33-29(39)35-27)19-37-15-17-38(18-16-37)20-26-28(22-5-9-24(32)10-6-22)36-30-34-12-2-14-40(26)30/h1-14H,15-20H2 |
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| InChIKey | QKUNBJZRRFULEC-UHFFFAOYSA-N |
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| XLogP | 5.95 |
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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 | 658.40 |
| LogP ≤ 5 | 5.95 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze 2-(4-bromophenyl)-3-[[4-[[2-(4-bromophenyl)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-bromophenyl)-3-[[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-(4-bromophenyl)-3-[[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine (CID 122183061) is 2-(4-bromophenyl)-3-[[4-[[2-(4-bromophenyl)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-bromophenyl)-3-[[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-(4-bromophenyl)-3-[[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine is Brc1ccc(-c2nc3ncccn3c2CN2CCN(Cc3c(-c4ccc(Br)cc4)nc4ncccn34)CC2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-3-[[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
The InChIKey is QKUNBJZRRFULEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26Br2N8/c31-23-7-3-21(4-8-23)27-25(39-13-1-11-33-29(39)35-27)19-37-15-17-38(18-16-37)20-26-28(22-5-9-24(32)10-6-22)36-30-34-12-2-14-40(26)30/h1-14H,15-20H2.
What are the key properties of 2-(4-bromophenyl)-3-[[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
2-(4-bromophenyl)-3-[[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine has a molecular weight of 658.40 g/mol, XLogP of 5.95, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-[[4-[[2-(4-bromophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 122183061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).