About 2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[4-[[(4R)-2-oxo-4-propylimidazolidin-1-yl]methyl]phenyl]methyl]imidazol-4-one
2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[4-[[(4R)-2-oxo-4-propylimidazolidin-1-yl]methyl]phenyl]methyl]imidazol-4-one (PubChem CID 11237964) has the molecular formula C32H49N5O2
and a molecular weight of 535.78 g/mol. Its IUPAC name is 2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[4-[[(4R)-2-oxo-4-propylimidazolidin-1-yl]methyl]phenyl]methyl]imidazol-4-one.
Molecular Properties
| Compound Name | 2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[4-[[(4R)-2-oxo-4-propylimidazolidin-1-yl]methyl]phenyl]methyl]imidazol-4-one |
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| PubChem CID | 11237964 |
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| Molecular Formula | C32H49N5O2 |
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| Molecular Weight | 535.78 g/mol |
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| Exact Mass | 535.39 |
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| IUPAC Name | 2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[4-[[(4R)-2-oxo-4-propylimidazolidin-1-yl]methyl]phenyl]methyl]imidazol-4-one |
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| SMILES | CCC[C@@H]1CN(Cc2ccc(CN3C(=O)C(CCC4CCCCC4)(CC4CCCCC4)N=C3N)cc2)C(=O)N1 |
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| InChI | InChI=1S/C32H49N5O2/c1-2-9-28-23-36(31(39)34-28)21-26-14-16-27(17-15-26)22-37-29(38)32(35-30(37)33,20-25-12-7-4-8-13-25)19-18-24-10-5-3-6-11-24/h14-17,24-25,28H,2-13,18-23H2,1H3,(H2,33,35)(H,34,39)/t28-,32?/m1/s1 |
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| InChIKey | SILGEXOUELDSRZ-MOFFZIGISA-N |
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| XLogP | 6.11 |
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| TPSA | 91.03 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 11 |
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| Heavy Atoms | 39 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 535.78 |
| LogP ≤ 5 | 6.11 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
Analyze 2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[4-[[(4R)-2-oxo-4-propylimidazolidin-1-yl]methyl]phenyl]methyl]imidazol-4-one with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[4-[[(4R)-2-oxo-4-propylimidazolidin-1-yl]methyl]phenyl]methyl]imidazol-4-one?
The IUPAC name of 2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[4-[[(4R)-2-oxo-4-propylimidazolidin-1-yl]methyl]phenyl]methyl]imidazol-4-one (CID 11237964) is 2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[4-[[(4R)-2-oxo-4-propylimidazolidin-1-yl]methyl]phenyl]methyl]imidazol-4-one.
What is the SMILES notation for 2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[4-[[(4R)-2-oxo-4-propylimidazolidin-1-yl]methyl]phenyl]methyl]imidazol-4-one?
The canonical SMILES for 2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[4-[[(4R)-2-oxo-4-propylimidazolidin-1-yl]methyl]phenyl]methyl]imidazol-4-one is CCC[C@@H]1CN(Cc2ccc(CN3C(=O)C(CCC4CCCCC4)(CC4CCCCC4)N=C3N)cc2)C(=O)N1.
What is the InChIKey of 2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[4-[[(4R)-2-oxo-4-propylimidazolidin-1-yl]methyl]phenyl]methyl]imidazol-4-one?
The InChIKey is SILGEXOUELDSRZ-MOFFZIGISA-N. The full InChI is InChI=1S/C32H49N5O2/c1-2-9-28-23-36(31(39)34-28)21-26-14-16-27(17-15-26)22-37-29(38)32(35-30(37)33,20-25-12-7-4-8-13-25)19-18-24-10-5-3-6-11-24/h14-17,24-25,28H,2-13,18-23H2,1H3,(H2,33,35)(H,34,39)/t28-,32?/m1/s1.
What are the key properties of 2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[4-[[(4R)-2-oxo-4-propylimidazolidin-1-yl]methyl]phenyl]methyl]imidazol-4-one?
2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[4-[[(4R)-2-oxo-4-propylimidazolidin-1-yl]methyl]phenyl]methyl]imidazol-4-one has a molecular weight of 535.78 g/mol, XLogP of 6.11, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[[4-[[(4R)-2-oxo-4-propylimidazolidin-1-yl]methyl]phenyl]methyl]imidazol-4-one is sourced from PubChem (CID 11237964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).