About N-[2-[4-[5-(2-amino-1-cyclopentylimidazol-4-yl)pentyl]triazol-1-yl]ethyl]-4-pentylbenzamide;hydrochloride
N-[2-[4-[5-(2-amino-1-cyclopentylimidazol-4-yl)pentyl]triazol-1-yl]ethyl]-4-pentylbenzamide;hydrochloride (PubChem CID 71652179) has the molecular formula C29H44ClN7O
and a molecular weight of 542.17 g/mol. Its IUPAC name is N-[2-[4-[5-(2-amino-1-cyclopentylimidazol-4-yl)pentyl]triazol-1-yl]ethyl]-4-pentylbenzamide;hydrochloride.
Molecular Properties
| Compound Name | N-[2-[4-[5-(2-amino-1-cyclopentylimidazol-4-yl)pentyl]triazol-1-yl]ethyl]-4-pentylbenzamide;hydrochloride |
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| PubChem CID | 71652179 |
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| Molecular Formula | C29H44ClN7O |
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| Molecular Weight | 542.17 g/mol |
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| Exact Mass | 541.33 |
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| IUPAC Name | N-[2-[4-[5-(2-amino-1-cyclopentylimidazol-4-yl)pentyl]triazol-1-yl]ethyl]-4-pentylbenzamide;hydrochloride |
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| SMILES | CCCCCc1ccc(C(=O)NCCn2cc(CCCCCc3cn(C4CCCC4)c(N)n3)nn2)cc1.Cl |
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| InChI | InChI=1S/C29H43N7O.ClH/c1-2-3-5-10-23-15-17-24(18-16-23)28(37)31-19-20-35-21-26(33-34-35)12-7-4-6-11-25-22-36(29(30)32-25)27-13-8-9-14-27;/h15-18,21-22,27H,2-14,19-20H2,1H3,(H2,30,32)(H,31,37);1H |
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| InChIKey | ULRCSXNIMCPDMZ-UHFFFAOYSA-N |
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| XLogP | 5.71 |
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| TPSA | 103.65 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 15 |
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| Heavy Atoms | 38 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 542.17 |
| LogP ≤ 5 | 5.71 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
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 N-[2-[4-[5-(2-amino-1-cyclopentylimidazol-4-yl)pentyl]triazol-1-yl]ethyl]-4-pentylbenzamide;hydrochloride?
The IUPAC name of N-[2-[4-[5-(2-amino-1-cyclopentylimidazol-4-yl)pentyl]triazol-1-yl]ethyl]-4-pentylbenzamide;hydrochloride (CID 71652179) is N-[2-[4-[5-(2-amino-1-cyclopentylimidazol-4-yl)pentyl]triazol-1-yl]ethyl]-4-pentylbenzamide;hydrochloride.
What is the SMILES notation for N-[2-[4-[5-(2-amino-1-cyclopentylimidazol-4-yl)pentyl]triazol-1-yl]ethyl]-4-pentylbenzamide;hydrochloride?
The canonical SMILES for N-[2-[4-[5-(2-amino-1-cyclopentylimidazol-4-yl)pentyl]triazol-1-yl]ethyl]-4-pentylbenzamide;hydrochloride is CCCCCc1ccc(C(=O)NCCn2cc(CCCCCc3cn(C4CCCC4)c(N)n3)nn2)cc1.Cl.
What is the InChIKey of N-[2-[4-[5-(2-amino-1-cyclopentylimidazol-4-yl)pentyl]triazol-1-yl]ethyl]-4-pentylbenzamide;hydrochloride?
The InChIKey is ULRCSXNIMCPDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43N7O.ClH/c1-2-3-5-10-23-15-17-24(18-16-23)28(37)31-19-20-35-21-26(33-34-35)12-7-4-6-11-25-22-36(29(30)32-25)27-13-8-9-14-27;/h15-18,21-22,27H,2-14,19-20H2,1H3,(H2,30,32)(H,31,37);1H.
What are the key properties of N-[2-[4-[5-(2-amino-1-cyclopentylimidazol-4-yl)pentyl]triazol-1-yl]ethyl]-4-pentylbenzamide;hydrochloride?
N-[2-[4-[5-(2-amino-1-cyclopentylimidazol-4-yl)pentyl]triazol-1-yl]ethyl]-4-pentylbenzamide;hydrochloride has a molecular weight of 542.17 g/mol, XLogP of 5.71, 15 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[5-(2-amino-1-cyclopentylimidazol-4-yl)pentyl]triazol-1-yl]ethyl]-4-pentylbenzamide;hydrochloride is sourced from PubChem (CID 71652179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).