About [4-(2-fluorophenyl)-2-methyl-1H-imidazol-5-yl]-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanimine
[4-(2-fluorophenyl)-2-methyl-1H-imidazol-5-yl]-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanimine (PubChem CID 137213199) has the molecular formula C21H21FN4
and a molecular weight of 348.43 g/mol. Its IUPAC name is [4-(2-fluorophenyl)-2-methyl-1H-imidazol-5-yl]-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanimine.
Molecular Properties
| Compound Name | [4-(2-fluorophenyl)-2-methyl-1H-imidazol-5-yl]-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanimine |
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| PubChem CID | 137213199 |
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| Molecular Formula | C21H21FN4 |
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| Molecular Weight | 348.43 g/mol |
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| Exact Mass | 348.18 |
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| IUPAC Name | [4-(2-fluorophenyl)-2-methyl-1H-imidazol-5-yl]-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanimine |
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| SMILES | [H]/N=C(/c1[nH]c(C)nc1-c1ccccc1F)N1Cc2ccccc2CC1C |
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| InChI | InChI=1S/C21H21FN4/c1-13-11-15-7-3-4-8-16(15)12-26(13)21(23)20-19(24-14(2)25-20)17-9-5-6-10-18(17)22/h3-10,13,23H,11-12H2,1-2H3,(H,24,25)/b23-21- |
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| InChIKey | FTEMLQOTYXUCTJ-LNVKXUELSA-N |
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| XLogP | 4.30 |
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| TPSA | 55.77 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 26 |
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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 | 348.43 |
| LogP ≤ 5 | 4.30 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [4-(2-fluorophenyl)-2-methyl-1H-imidazol-5-yl]-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanimine?
The IUPAC name of [4-(2-fluorophenyl)-2-methyl-1H-imidazol-5-yl]-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanimine (CID 137213199) is [4-(2-fluorophenyl)-2-methyl-1H-imidazol-5-yl]-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanimine.
What is the SMILES notation for [4-(2-fluorophenyl)-2-methyl-1H-imidazol-5-yl]-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanimine?
The canonical SMILES for [4-(2-fluorophenyl)-2-methyl-1H-imidazol-5-yl]-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanimine is [H]/N=C(/c1[nH]c(C)nc1-c1ccccc1F)N1Cc2ccccc2CC1C.
What is the InChIKey of [4-(2-fluorophenyl)-2-methyl-1H-imidazol-5-yl]-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanimine?
The InChIKey is FTEMLQOTYXUCTJ-LNVKXUELSA-N. The full InChI is InChI=1S/C21H21FN4/c1-13-11-15-7-3-4-8-16(15)12-26(13)21(23)20-19(24-14(2)25-20)17-9-5-6-10-18(17)22/h3-10,13,23H,11-12H2,1-2H3,(H,24,25)/b23-21-.
What are the key properties of [4-(2-fluorophenyl)-2-methyl-1H-imidazol-5-yl]-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanimine?
[4-(2-fluorophenyl)-2-methyl-1H-imidazol-5-yl]-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanimine has a molecular weight of 348.43 g/mol, XLogP of 4.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)-2-methyl-1H-imidazol-5-yl]-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanimine is sourced from PubChem (CID 137213199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).