About 1-(2-amino-4-pyridinyl)-3-[5-[4-[(E)-ethoxyiminomethyl]-2,6-dimethylphenoxy]-3-methylpentyl]imidazolidin-2-one
1-(2-amino-4-pyridinyl)-3-[5-[4-[(E)-ethoxyiminomethyl]-2,6-dimethylphenoxy]-3-methylpentyl]imidazolidin-2-one (PubChem CID 155523228) has the molecular formula C25H35N5O3
and a molecular weight of 453.59 g/mol. Its IUPAC name is 1-(2-amino-4-pyridinyl)-3-[5-[4-[(E)-ethoxyiminomethyl]-2,6-dimethylphenoxy]-3-methylpentyl]imidazolidin-2-one.
Molecular Properties
| Compound Name | 1-(2-amino-4-pyridinyl)-3-[5-[4-[(E)-ethoxyiminomethyl]-2,6-dimethylphenoxy]-3-methylpentyl]imidazolidin-2-one |
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| PubChem CID | 155523228 |
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| Molecular Formula | C25H35N5O3 |
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| Molecular Weight | 453.59 g/mol |
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| Exact Mass | 453.27 |
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| IUPAC Name | 1-(2-amino-4-pyridinyl)-3-[5-[4-[(E)-ethoxyiminomethyl]-2,6-dimethylphenoxy]-3-methylpentyl]imidazolidin-2-one |
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| SMILES | CCO/N=C/c1cc(C)c(OCCC(C)CCN2CCN(c3ccnc(N)c3)C2=O)c(C)c1 |
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| InChI | InChI=1S/C25H35N5O3/c1-5-33-28-17-21-14-19(3)24(20(4)15-21)32-13-8-18(2)7-10-29-11-12-30(25(29)31)22-6-9-27-23(26)16-22/h6,9,14-18H,5,7-8,10-13H2,1-4H3,(H2,26,27)/b28-17+ |
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| InChIKey | HPEPCLLYRPKQEM-OGLMXYFKSA-N |
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| XLogP | 4.39 |
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| TPSA | 93.28 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 11 |
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| Heavy Atoms | 33 |
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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 | 453.59 |
| LogP ≤ 5 | 4.39 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_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 1-(2-amino-4-pyridinyl)-3-[5-[4-[(E)-ethoxyiminomethyl]-2,6-dimethylphenoxy]-3-methylpentyl]imidazolidin-2-one?
The IUPAC name of 1-(2-amino-4-pyridinyl)-3-[5-[4-[(E)-ethoxyiminomethyl]-2,6-dimethylphenoxy]-3-methylpentyl]imidazolidin-2-one (CID 155523228) is 1-(2-amino-4-pyridinyl)-3-[5-[4-[(E)-ethoxyiminomethyl]-2,6-dimethylphenoxy]-3-methylpentyl]imidazolidin-2-one.
What is the SMILES notation for 1-(2-amino-4-pyridinyl)-3-[5-[4-[(E)-ethoxyiminomethyl]-2,6-dimethylphenoxy]-3-methylpentyl]imidazolidin-2-one?
The canonical SMILES for 1-(2-amino-4-pyridinyl)-3-[5-[4-[(E)-ethoxyiminomethyl]-2,6-dimethylphenoxy]-3-methylpentyl]imidazolidin-2-one is CCO/N=C/c1cc(C)c(OCCC(C)CCN2CCN(c3ccnc(N)c3)C2=O)c(C)c1.
What is the InChIKey of 1-(2-amino-4-pyridinyl)-3-[5-[4-[(E)-ethoxyiminomethyl]-2,6-dimethylphenoxy]-3-methylpentyl]imidazolidin-2-one?
The InChIKey is HPEPCLLYRPKQEM-OGLMXYFKSA-N. The full InChI is InChI=1S/C25H35N5O3/c1-5-33-28-17-21-14-19(3)24(20(4)15-21)32-13-8-18(2)7-10-29-11-12-30(25(29)31)22-6-9-27-23(26)16-22/h6,9,14-18H,5,7-8,10-13H2,1-4H3,(H2,26,27)/b28-17+.
What are the key properties of 1-(2-amino-4-pyridinyl)-3-[5-[4-[(E)-ethoxyiminomethyl]-2,6-dimethylphenoxy]-3-methylpentyl]imidazolidin-2-one?
1-(2-amino-4-pyridinyl)-3-[5-[4-[(E)-ethoxyiminomethyl]-2,6-dimethylphenoxy]-3-methylpentyl]imidazolidin-2-one has a molecular weight of 453.59 g/mol, XLogP of 4.39, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-pyridinyl)-3-[5-[4-[(E)-ethoxyiminomethyl]-2,6-dimethylphenoxy]-3-methylpentyl]imidazolidin-2-one is sourced from PubChem (CID 155523228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).