About 2-amino-2-methyl-N-[1-oxo-5-phenyl-1-[4-(2-phenylbenzimidazol-1-yl)piperidin-1-yl]pentan-2-yl]propanamide;hydrochloride
2-amino-2-methyl-N-[1-oxo-5-phenyl-1-[4-(2-phenylbenzimidazol-1-yl)piperidin-1-yl]pentan-2-yl]propanamide;hydrochloride (PubChem CID 21222234) has the molecular formula C33H40ClN5O2
and a molecular weight of 574.17 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[1-oxo-5-phenyl-1-[4-(2-phenylbenzimidazol-1-yl)piperidin-1-yl]pentan-2-yl]propanamide;hydrochloride.
Molecular Properties
| Compound Name | 2-amino-2-methyl-N-[1-oxo-5-phenyl-1-[4-(2-phenylbenzimidazol-1-yl)piperidin-1-yl]pentan-2-yl]propanamide;hydrochloride |
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| PubChem CID | 21222234 |
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| Molecular Formula | C33H40ClN5O2 |
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| Molecular Weight | 574.17 g/mol |
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| Exact Mass | 573.29 |
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| IUPAC Name | 2-amino-2-methyl-N-[1-oxo-5-phenyl-1-[4-(2-phenylbenzimidazol-1-yl)piperidin-1-yl]pentan-2-yl]propanamide;hydrochloride |
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| SMILES | CC(C)(N)C(=O)NC(CCCc1ccccc1)C(=O)N1CCC(n2c(-c3ccccc3)nc3ccccc32)CC1.Cl |
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| InChI | InChI=1S/C33H39N5O2.ClH/c1-33(2,34)32(40)36-28(18-11-14-24-12-5-3-6-13-24)31(39)37-22-20-26(21-23-37)38-29-19-10-9-17-27(29)35-30(38)25-15-7-4-8-16-25;/h3-10,12-13,15-17,19,26,28H,11,14,18,20-23,34H2,1-2H3,(H,36,40);1H |
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| InChIKey | PLYJWEAOVRAMIX-UHFFFAOYSA-N |
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| XLogP | 5.53 |
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| TPSA | 93.25 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 41 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 574.17 |
| LogP ≤ 5 | 5.53 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 5 |
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Frequently Asked Questions
What is the IUPAC name of 2-amino-2-methyl-N-[1-oxo-5-phenyl-1-[4-(2-phenylbenzimidazol-1-yl)piperidin-1-yl]pentan-2-yl]propanamide;hydrochloride?
The IUPAC name of 2-amino-2-methyl-N-[1-oxo-5-phenyl-1-[4-(2-phenylbenzimidazol-1-yl)piperidin-1-yl]pentan-2-yl]propanamide;hydrochloride (CID 21222234) is 2-amino-2-methyl-N-[1-oxo-5-phenyl-1-[4-(2-phenylbenzimidazol-1-yl)piperidin-1-yl]pentan-2-yl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-2-methyl-N-[1-oxo-5-phenyl-1-[4-(2-phenylbenzimidazol-1-yl)piperidin-1-yl]pentan-2-yl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-2-methyl-N-[1-oxo-5-phenyl-1-[4-(2-phenylbenzimidazol-1-yl)piperidin-1-yl]pentan-2-yl]propanamide;hydrochloride is CC(C)(N)C(=O)NC(CCCc1ccccc1)C(=O)N1CCC(n2c(-c3ccccc3)nc3ccccc32)CC1.Cl.
What is the InChIKey of 2-amino-2-methyl-N-[1-oxo-5-phenyl-1-[4-(2-phenylbenzimidazol-1-yl)piperidin-1-yl]pentan-2-yl]propanamide;hydrochloride?
The InChIKey is PLYJWEAOVRAMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N5O2.ClH/c1-33(2,34)32(40)36-28(18-11-14-24-12-5-3-6-13-24)31(39)37-22-20-26(21-23-37)38-29-19-10-9-17-27(29)35-30(38)25-15-7-4-8-16-25;/h3-10,12-13,15-17,19,26,28H,11,14,18,20-23,34H2,1-2H3,(H,36,40);1H.
What are the key properties of 2-amino-2-methyl-N-[1-oxo-5-phenyl-1-[4-(2-phenylbenzimidazol-1-yl)piperidin-1-yl]pentan-2-yl]propanamide;hydrochloride?
2-amino-2-methyl-N-[1-oxo-5-phenyl-1-[4-(2-phenylbenzimidazol-1-yl)piperidin-1-yl]pentan-2-yl]propanamide;hydrochloride has a molecular weight of 574.17 g/mol, XLogP of 5.53, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[1-oxo-5-phenyl-1-[4-(2-phenylbenzimidazol-1-yl)piperidin-1-yl]pentan-2-yl]propanamide;hydrochloride is sourced from PubChem (CID 21222234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).