About 1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazole
1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazole (PubChem CID 50967561) has the molecular formula C22H24N6O
and a molecular weight of 388.48 g/mol. Its IUPAC name is 1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazole.
Molecular Properties
| Compound Name | 1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazole |
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| PubChem CID | 50967561 |
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| Molecular Formula | C22H24N6O |
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| Molecular Weight | 388.48 g/mol |
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| Exact Mass | 388.20 |
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| IUPAC Name | 1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazole |
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| SMILES | C=CCn1cc(-c2c(-c3ccccc3)ncn2Cc2cncn2CCOC)cn1 |
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| InChI | InChI=1S/C22H24N6O/c1-3-9-28-14-19(12-25-28)22-21(18-7-5-4-6-8-18)24-17-27(22)15-20-13-23-16-26(20)10-11-29-2/h3-8,12-14,16-17H,1,9-11,15H2,2H3 |
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| InChIKey | WRBLYIDREIOKIB-UHFFFAOYSA-N |
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| XLogP | 3.49 |
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| TPSA | 62.69 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 29 |
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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 | 388.48 |
| LogP ≤ 5 | 3.49 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazole?
The IUPAC name of 1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazole (CID 50967561) is 1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazole.
What is the SMILES notation for 1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazole?
The canonical SMILES for 1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazole is C=CCn1cc(-c2c(-c3ccccc3)ncn2Cc2cncn2CCOC)cn1.
What is the InChIKey of 1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazole?
The InChIKey is WRBLYIDREIOKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-3-9-28-14-19(12-25-28)22-21(18-7-5-4-6-8-18)24-17-27(22)15-20-13-23-16-26(20)10-11-29-2/h3-8,12-14,16-17H,1,9-11,15H2,2H3.
What are the key properties of 1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazole?
1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazole has a molecular weight of 388.48 g/mol, XLogP of 3.49, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-phenyl-5-(1-prop-2-enylpyrazol-4-yl)imidazole is sourced from PubChem (CID 50967561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).