About [2-phenyl-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]-thiophen-2-ylmethanone;hydrate;dihydrochloride
[2-phenyl-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]-thiophen-2-ylmethanone;hydrate;dihydrochloride (PubChem CID 24838936) has the molecular formula C27H30Cl2N4O2S
and a molecular weight of 545.54 g/mol. Its IUPAC name is [2-phenyl-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]-thiophen-2-ylmethanone;hydrate;dihydrochloride.
Molecular Properties
| Compound Name | [2-phenyl-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]-thiophen-2-ylmethanone;hydrate;dihydrochloride |
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| PubChem CID | 24838936 |
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| Molecular Formula | C27H30Cl2N4O2S |
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| Molecular Weight | 545.54 g/mol |
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| Exact Mass | 544.15 |
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| IUPAC Name | [2-phenyl-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]-thiophen-2-ylmethanone;hydrate;dihydrochloride |
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| SMILES | Cl.Cl.O.O=C(c1cccs1)c1c(-c2ccccc2)nc2n(CCN3CCCCC3)c3ccccc3n12 |
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| InChI | InChI=1S/C27H26N4OS.2ClH.H2O/c32-26(23-14-9-19-33-23)25-24(20-10-3-1-4-11-20)28-27-30(18-17-29-15-7-2-8-16-29)21-12-5-6-13-22(21)31(25)27;;;/h1,3-6,9-14,19H,2,7-8,15-18H2;2*1H;1H2 |
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| InChIKey | WLENLOVEEPTCIE-UHFFFAOYSA-N |
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| XLogP | 5.75 |
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| TPSA | 74.04 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 | 36 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 545.54 |
| LogP ≤ 5 | 5.75 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of [2-phenyl-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]-thiophen-2-ylmethanone;hydrate;dihydrochloride?
The IUPAC name of [2-phenyl-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]-thiophen-2-ylmethanone;hydrate;dihydrochloride (CID 24838936) is [2-phenyl-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]-thiophen-2-ylmethanone;hydrate;dihydrochloride.
What is the SMILES notation for [2-phenyl-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]-thiophen-2-ylmethanone;hydrate;dihydrochloride?
The canonical SMILES for [2-phenyl-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]-thiophen-2-ylmethanone;hydrate;dihydrochloride is Cl.Cl.O.O=C(c1cccs1)c1c(-c2ccccc2)nc2n(CCN3CCCCC3)c3ccccc3n12.
What is the InChIKey of [2-phenyl-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]-thiophen-2-ylmethanone;hydrate;dihydrochloride?
The InChIKey is WLENLOVEEPTCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4OS.2ClH.H2O/c32-26(23-14-9-19-33-23)25-24(20-10-3-1-4-11-20)28-27-30(18-17-29-15-7-2-8-16-29)21-12-5-6-13-22(21)31(25)27;;;/h1,3-6,9-14,19H,2,7-8,15-18H2;2*1H;1H2.
What are the key properties of [2-phenyl-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]-thiophen-2-ylmethanone;hydrate;dihydrochloride?
[2-phenyl-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]-thiophen-2-ylmethanone;hydrate;dihydrochloride has a molecular weight of 545.54 g/mol, XLogP of 5.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-phenyl-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]-thiophen-2-ylmethanone;hydrate;dihydrochloride is sourced from PubChem (CID 24838936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).