About 1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine (PubChem CID 59059121) has the molecular formula C25H26F6N4
and a molecular weight of 496.50 g/mol. Its IUPAC name is 1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine.
Molecular Properties
| Compound Name | 1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine |
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| PubChem CID | 59059121 |
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| Molecular Formula | C25H26F6N4 |
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| Molecular Weight | 496.50 g/mol |
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| Exact Mass | 496.21 |
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| IUPAC Name | 1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine |
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| SMILES | Cc1[nH]c(-c2ccc(C(F)(F)F)cc2)nc1CN1CCC(NCc2ccc(C(F)(F)F)cc2)CC1 |
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| InChI | InChI=1S/C25H26F6N4/c1-16-22(34-23(33-16)18-4-8-20(9-5-18)25(29,30)31)15-35-12-10-21(11-13-35)32-14-17-2-6-19(7-3-17)24(26,27)28/h2-9,21,32H,10-15H2,1H3,(H,33,34) |
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| InChIKey | MGJNXSYUYXEHMA-UHFFFAOYSA-N |
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| XLogP | 6.18 |
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| TPSA | 43.95 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 496.50 |
| LogP ≤ 5 | 6.18 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The IUPAC name of 1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine (CID 59059121) is 1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The canonical SMILES for 1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine is Cc1[nH]c(-c2ccc(C(F)(F)F)cc2)nc1CN1CCC(NCc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
The InChIKey is MGJNXSYUYXEHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F6N4/c1-16-22(34-23(33-16)18-4-8-20(9-5-18)25(29,30)31)15-35-12-10-21(11-13-35)32-14-17-2-6-19(7-3-17)24(26,27)28/h2-9,21,32H,10-15H2,1H3,(H,33,34).
What are the key properties of 1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine?
1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine has a molecular weight of 496.50 g/mol, XLogP of 6.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1H-imidazol-4-yl]methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine is sourced from PubChem (CID 59059121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).