About [4-(5-fluoro-2-propan-2-yloxybenzimidazol-1-yl)piperidin-1-yl]-[4-fluoro-1-(thiophen-3-ylmethyl)piperidin-4-yl]methanone
[4-(5-fluoro-2-propan-2-yloxybenzimidazol-1-yl)piperidin-1-yl]-[4-fluoro-1-(thiophen-3-ylmethyl)piperidin-4-yl]methanone (PubChem CID 21050338) has the molecular formula C26H32F2N4O2S
and a molecular weight of 502.63 g/mol. Its IUPAC name is [4-(5-fluoro-2-propan-2-yloxybenzimidazol-1-yl)piperidin-1-yl]-[4-fluoro-1-(thiophen-3-ylmethyl)piperidin-4-yl]methanone.
Molecular Properties
| Compound Name | [4-(5-fluoro-2-propan-2-yloxybenzimidazol-1-yl)piperidin-1-yl]-[4-fluoro-1-(thiophen-3-ylmethyl)piperidin-4-yl]methanone |
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| PubChem CID | 21050338 |
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| Molecular Formula | C26H32F2N4O2S |
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| Molecular Weight | 502.63 g/mol |
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| Exact Mass | 502.22 |
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| IUPAC Name | [4-(5-fluoro-2-propan-2-yloxybenzimidazol-1-yl)piperidin-1-yl]-[4-fluoro-1-(thiophen-3-ylmethyl)piperidin-4-yl]methanone |
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| SMILES | CC(C)Oc1nc2cc(F)ccc2n1C1CCN(C(=O)C2(F)CCN(Cc3ccsc3)CC2)CC1 |
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| InChI | InChI=1S/C26H32F2N4O2S/c1-18(2)34-25-29-22-15-20(27)3-4-23(22)32(25)21-5-10-31(11-6-21)24(33)26(28)8-12-30(13-9-26)16-19-7-14-35-17-19/h3-4,7,14-15,17-18,21H,5-6,8-13,16H2,1-2H3 |
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| InChIKey | RCADDZPEKLZPHU-UHFFFAOYSA-N |
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| XLogP | 5.19 |
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| TPSA | 50.60 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 502.63 |
| LogP ≤ 5 | 5.19 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of [4-(5-fluoro-2-propan-2-yloxybenzimidazol-1-yl)piperidin-1-yl]-[4-fluoro-1-(thiophen-3-ylmethyl)piperidin-4-yl]methanone?
The IUPAC name of [4-(5-fluoro-2-propan-2-yloxybenzimidazol-1-yl)piperidin-1-yl]-[4-fluoro-1-(thiophen-3-ylmethyl)piperidin-4-yl]methanone (CID 21050338) is [4-(5-fluoro-2-propan-2-yloxybenzimidazol-1-yl)piperidin-1-yl]-[4-fluoro-1-(thiophen-3-ylmethyl)piperidin-4-yl]methanone.
What is the SMILES notation for [4-(5-fluoro-2-propan-2-yloxybenzimidazol-1-yl)piperidin-1-yl]-[4-fluoro-1-(thiophen-3-ylmethyl)piperidin-4-yl]methanone?
The canonical SMILES for [4-(5-fluoro-2-propan-2-yloxybenzimidazol-1-yl)piperidin-1-yl]-[4-fluoro-1-(thiophen-3-ylmethyl)piperidin-4-yl]methanone is CC(C)Oc1nc2cc(F)ccc2n1C1CCN(C(=O)C2(F)CCN(Cc3ccsc3)CC2)CC1.
What is the InChIKey of [4-(5-fluoro-2-propan-2-yloxybenzimidazol-1-yl)piperidin-1-yl]-[4-fluoro-1-(thiophen-3-ylmethyl)piperidin-4-yl]methanone?
The InChIKey is RCADDZPEKLZPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F2N4O2S/c1-18(2)34-25-29-22-15-20(27)3-4-23(22)32(25)21-5-10-31(11-6-21)24(33)26(28)8-12-30(13-9-26)16-19-7-14-35-17-19/h3-4,7,14-15,17-18,21H,5-6,8-13,16H2,1-2H3.
What are the key properties of [4-(5-fluoro-2-propan-2-yloxybenzimidazol-1-yl)piperidin-1-yl]-[4-fluoro-1-(thiophen-3-ylmethyl)piperidin-4-yl]methanone?
[4-(5-fluoro-2-propan-2-yloxybenzimidazol-1-yl)piperidin-1-yl]-[4-fluoro-1-(thiophen-3-ylmethyl)piperidin-4-yl]methanone has a molecular weight of 502.63 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-fluoro-2-propan-2-yloxybenzimidazol-1-yl)piperidin-1-yl]-[4-fluoro-1-(thiophen-3-ylmethyl)piperidin-4-yl]methanone is sourced from PubChem (CID 21050338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).