About [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1-methylimidazol-2-yl)methanone
[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1-methylimidazol-2-yl)methanone (PubChem CID 121309797) has the molecular formula C29H27ClN6O
and a molecular weight of 511.03 g/mol. Its IUPAC name is [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1-methylimidazol-2-yl)methanone.
Molecular Properties
| Compound Name | [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1-methylimidazol-2-yl)methanone |
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| PubChem CID | 121309797 |
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| Molecular Formula | C29H27ClN6O |
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| Molecular Weight | 511.03 g/mol |
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| Exact Mass | 510.19 |
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| IUPAC Name | [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1-methylimidazol-2-yl)methanone |
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| SMILES | Cn1ccnc1C(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1 |
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| InChI | InChI=1S/C29H27ClN6O/c1-33-14-13-31-28(33)29(37)35-17-15-34(16-18-35)20-25-27(22-7-10-24(30)11-8-22)32-26-12-9-23(19-36(25)26)21-5-3-2-4-6-21/h2-14,19H,15-18,20H2,1H3 |
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| InChIKey | ICACCKWBSHIIMF-UHFFFAOYSA-N |
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| XLogP | 5.01 |
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| TPSA | 58.67 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 37 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 511.03 |
| LogP ≤ 5 | 5.01 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1-methylimidazol-2-yl)methanone?
The IUPAC name of [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1-methylimidazol-2-yl)methanone (CID 121309797) is [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1-methylimidazol-2-yl)methanone is Cn1ccnc1C(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.
What is the InChIKey of [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1-methylimidazol-2-yl)methanone?
The InChIKey is ICACCKWBSHIIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27ClN6O/c1-33-14-13-31-28(33)29(37)35-17-15-34(16-18-35)20-25-27(22-7-10-24(30)11-8-22)32-26-12-9-23(19-36(25)26)21-5-3-2-4-6-21/h2-14,19H,15-18,20H2,1H3.
What are the key properties of [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1-methylimidazol-2-yl)methanone?
[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1-methylimidazol-2-yl)methanone has a molecular weight of 511.03 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 121309797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).