About 2-(4-chlorophenyl)-7-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-8-pentylimidazo[1,2-a]pyrimidin-5-one
2-(4-chlorophenyl)-7-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-8-pentylimidazo[1,2-a]pyrimidin-5-one (PubChem CID 118631377) has the molecular formula C25H33ClN6O4S
and a molecular weight of 549.10 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-7-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-8-pentylimidazo[1,2-a]pyrimidin-5-one.
Molecular Properties
| Compound Name | 2-(4-chlorophenyl)-7-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-8-pentylimidazo[1,2-a]pyrimidin-5-one |
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| PubChem CID | 118631377 |
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| Molecular Formula | C25H33ClN6O4S |
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| Molecular Weight | 549.10 g/mol |
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| Exact Mass | 548.20 |
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| IUPAC Name | 2-(4-chlorophenyl)-7-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-8-pentylimidazo[1,2-a]pyrimidin-5-one |
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| SMILES | CCCCCn1c(N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12 |
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| InChI | InChI=1S/C25H33ClN6O4S/c1-2-3-4-9-31-23(28-10-12-29(13-11-28)37(34,35)30-14-16-36-17-15-30)18-24(33)32-19-22(27-25(31)32)20-5-7-21(26)8-6-20/h5-8,18-19H,2-4,9-17H2,1H3 |
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| InChIKey | HBMBNSQXYPWSKA-UHFFFAOYSA-N |
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| XLogP | 2.71 |
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| TPSA | 92.39 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 37 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 549.10 |
| LogP ≤ 5 | 2.71 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-(4-chlorophenyl)-7-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-8-pentylimidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 2-(4-chlorophenyl)-7-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-8-pentylimidazo[1,2-a]pyrimidin-5-one (CID 118631377) is 2-(4-chlorophenyl)-7-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-8-pentylimidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-(4-chlorophenyl)-7-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-8-pentylimidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 2-(4-chlorophenyl)-7-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-8-pentylimidazo[1,2-a]pyrimidin-5-one is CCCCCn1c(N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12.
What is the InChIKey of 2-(4-chlorophenyl)-7-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-8-pentylimidazo[1,2-a]pyrimidin-5-one?
The InChIKey is HBMBNSQXYPWSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClN6O4S/c1-2-3-4-9-31-23(28-10-12-29(13-11-28)37(34,35)30-14-16-36-17-15-30)18-24(33)32-19-22(27-25(31)32)20-5-7-21(26)8-6-20/h5-8,18-19H,2-4,9-17H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-7-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-8-pentylimidazo[1,2-a]pyrimidin-5-one?
2-(4-chlorophenyl)-7-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-8-pentylimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 549.10 g/mol, XLogP of 2.71, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-7-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-8-pentylimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 118631377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).