About N-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]methyl]-1-methylsulfonylpiperidin-4-amine
N-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]methyl]-1-methylsulfonylpiperidin-4-amine (PubChem CID 66740072) has the molecular formula C25H29Cl2FN4O2S
and a molecular weight of 539.50 g/mol. Its IUPAC name is N-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]methyl]-1-methylsulfonylpiperidin-4-amine.
Molecular Properties
| Compound Name | N-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]methyl]-1-methylsulfonylpiperidin-4-amine |
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| PubChem CID | 66740072 |
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| Molecular Formula | C25H29Cl2FN4O2S |
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| Molecular Weight | 539.50 g/mol |
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| Exact Mass | 538.14 |
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| IUPAC Name | N-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]methyl]-1-methylsulfonylpiperidin-4-amine |
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| SMILES | CC(C)(c1ccc(Cl)c(Cl)c1)c1cnc(CNC2CCN(S(C)(=O)=O)CC2)n1-c1ccc(F)cc1 |
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| InChI | InChI=1S/C25H29Cl2FN4O2S/c1-25(2,17-4-9-21(26)22(27)14-17)23-15-30-24(32(23)20-7-5-18(28)6-8-20)16-29-19-10-12-31(13-11-19)35(3,33)34/h4-9,14-15,19,29H,10-13,16H2,1-3H3 |
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| InChIKey | PDKZWHLKFFAOGV-UHFFFAOYSA-N |
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| XLogP | 5.16 |
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| TPSA | 67.23 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 539.50 |
| LogP ≤ 5 | 5.16 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 5 |
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Frequently Asked Questions
What is the IUPAC name of N-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]methyl]-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of N-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]methyl]-1-methylsulfonylpiperidin-4-amine (CID 66740072) is N-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]methyl]-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]methyl]-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for N-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]methyl]-1-methylsulfonylpiperidin-4-amine is CC(C)(c1ccc(Cl)c(Cl)c1)c1cnc(CNC2CCN(S(C)(=O)=O)CC2)n1-c1ccc(F)cc1.
What is the InChIKey of N-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]methyl]-1-methylsulfonylpiperidin-4-amine?
The InChIKey is PDKZWHLKFFAOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29Cl2FN4O2S/c1-25(2,17-4-9-21(26)22(27)14-17)23-15-30-24(32(23)20-7-5-18(28)6-8-20)16-29-19-10-12-31(13-11-19)35(3,33)34/h4-9,14-15,19,29H,10-13,16H2,1-3H3.
What are the key properties of N-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]methyl]-1-methylsulfonylpiperidin-4-amine?
N-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]methyl]-1-methylsulfonylpiperidin-4-amine has a molecular weight of 539.50 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(3,4-dichlorophenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]methyl]-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 66740072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).