About (E)-N-hydroxy-3-[1-(3-morpholin-4-ylpropyl)-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide
(E)-N-hydroxy-3-[1-(3-morpholin-4-ylpropyl)-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide (PubChem CID 11316470) has the molecular formula C25H30N4O3
and a molecular weight of 434.54 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[1-(3-morpholin-4-ylpropyl)-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide.
Molecular Properties
| Compound Name | (E)-N-hydroxy-3-[1-(3-morpholin-4-ylpropyl)-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide |
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| PubChem CID | 11316470 |
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| Molecular Formula | C25H30N4O3 |
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| Molecular Weight | 434.54 g/mol |
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| Exact Mass | 434.23 |
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| IUPAC Name | (E)-N-hydroxy-3-[1-(3-morpholin-4-ylpropyl)-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide |
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| SMILES | O=C(/C=C/c1ccc2c(c1)nc(CCc1ccccc1)n2CCCN1CCOCC1)NO |
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| InChI | InChI=1S/C25H30N4O3/c30-25(27-31)12-9-21-7-10-23-22(19-21)26-24(11-8-20-5-2-1-3-6-20)29(23)14-4-13-28-15-17-32-18-16-28/h1-3,5-7,9-10,12,19,31H,4,8,11,13-18H2,(H,27,30)/b12-9+ |
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| InChIKey | QVFFSKXKUJVVFF-FMIVXFBMSA-N |
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| XLogP | 3.06 |
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| TPSA | 79.62 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 32 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 434.54 |
| LogP ≤ 5 | 3.06 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (E)-N-hydroxy-3-[1-(3-morpholin-4-ylpropyl)-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[1-(3-morpholin-4-ylpropyl)-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide (CID 11316470) is (E)-N-hydroxy-3-[1-(3-morpholin-4-ylpropyl)-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[1-(3-morpholin-4-ylpropyl)-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[1-(3-morpholin-4-ylpropyl)-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide is O=C(/C=C/c1ccc2c(c1)nc(CCc1ccccc1)n2CCCN1CCOCC1)NO.
What is the InChIKey of (E)-N-hydroxy-3-[1-(3-morpholin-4-ylpropyl)-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide?
The InChIKey is QVFFSKXKUJVVFF-FMIVXFBMSA-N. The full InChI is InChI=1S/C25H30N4O3/c30-25(27-31)12-9-21-7-10-23-22(19-21)26-24(11-8-20-5-2-1-3-6-20)29(23)14-4-13-28-15-17-32-18-16-28/h1-3,5-7,9-10,12,19,31H,4,8,11,13-18H2,(H,27,30)/b12-9+.
What are the key properties of (E)-N-hydroxy-3-[1-(3-morpholin-4-ylpropyl)-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide?
(E)-N-hydroxy-3-[1-(3-morpholin-4-ylpropyl)-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide has a molecular weight of 434.54 g/mol, XLogP of 3.06, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[1-(3-morpholin-4-ylpropyl)-2-(2-phenylethyl)benzimidazol-5-yl]prop-2-enamide is sourced from PubChem (CID 11316470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).