1-[3,3,3-trifluoro-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]propyl]-3-[3-(trifluoromethyl)phenyl]piperidine

C25H24F7N3 — CID 75202207

IUPAC1-[3,3,3-trifluoro-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]propyl]-3-[3-(trifluoromethyl)phenyl]piperidine
SMILESFc1ccc(-c2cnc(CC(CN3CCCC(c4cccc(C(F)(F)F)c4)C3)C(F)(F)F)[nH]2)cc1
InChIInChI=1S/C25H24F7N3/c26-21-8-6-16(7-9-21)22-13-33-23(34-22)12-20(25(30,31)32)15-35-10-2-4-18(14-35)17-3-1-5-19(11-17)24(27,28)29/h1,3,5-9,11,13,18,20H,2,4,10,12,14-15H2,(H,33,34)
InChIKeyFHZVNEDDEKYGTR-UHFFFAOYSA-N
MW499.47 g/mol
LogP6.84
Rot. Bonds6

About 1-[3,3,3-trifluoro-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]propyl]-3-[3-(trifluoromethyl)phenyl]piperidine

1-[3,3,3-trifluoro-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]propyl]-3-[3-(trifluoromethyl)phenyl]piperidine (PubChem CID 75202207) has the molecular formula C25H24F7N3 and a molecular weight of 499.47 g/mol. Its IUPAC name is 1-[3,3,3-trifluoro-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]propyl]-3-[3-(trifluoromethyl)phenyl]piperidine.

Molecular Properties

Compound Name1-[3,3,3-trifluoro-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]propyl]-3-[3-(trifluoromethyl)phenyl]piperidine
PubChem CID75202207
Molecular FormulaC25H24F7N3
Molecular Weight499.47 g/mol
Exact Mass499.19
IUPAC Name1-[3,3,3-trifluoro-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]propyl]-3-[3-(trifluoromethyl)phenyl]piperidine
SMILESFc1ccc(-c2cnc(CC(CN3CCCC(c4cccc(C(F)(F)F)c4)C3)C(F)(F)F)[nH]2)cc1
InChIInChI=1S/C25H24F7N3/c26-21-8-6-16(7-9-21)22-13-33-23(34-22)12-20(25(30,31)32)15-35-10-2-4-18(14-35)17-3-1-5-19(11-17)24(27,28)29/h1,3,5-9,11,13,18,20H,2,4,10,12,14-15H2,(H,33,34)
InChIKeyFHZVNEDDEKYGTR-UHFFFAOYSA-N
XLogP6.84
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.47
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3,3,3-trifluoro-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]propyl]-3-[3-(trifluoromethyl)phenyl]piperidine?
The IUPAC name of 1-[3,3,3-trifluoro-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]propyl]-3-[3-(trifluoromethyl)phenyl]piperidine (CID 75202207) is 1-[3,3,3-trifluoro-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]propyl]-3-[3-(trifluoromethyl)phenyl]piperidine.
What is the SMILES notation for 1-[3,3,3-trifluoro-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]propyl]-3-[3-(trifluoromethyl)phenyl]piperidine?
The canonical SMILES for 1-[3,3,3-trifluoro-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]propyl]-3-[3-(trifluoromethyl)phenyl]piperidine is Fc1ccc(-c2cnc(CC(CN3CCCC(c4cccc(C(F)(F)F)c4)C3)C(F)(F)F)[nH]2)cc1.
What is the InChIKey of 1-[3,3,3-trifluoro-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]propyl]-3-[3-(trifluoromethyl)phenyl]piperidine?
The InChIKey is FHZVNEDDEKYGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F7N3/c26-21-8-6-16(7-9-21)22-13-33-23(34-22)12-20(25(30,31)32)15-35-10-2-4-18(14-35)17-3-1-5-19(11-17)24(27,28)29/h1,3,5-9,11,13,18,20H,2,4,10,12,14-15H2,(H,33,34).
What are the key properties of 1-[3,3,3-trifluoro-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]propyl]-3-[3-(trifluoromethyl)phenyl]piperidine?
1-[3,3,3-trifluoro-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]propyl]-3-[3-(trifluoromethyl)phenyl]piperidine has a molecular weight of 499.47 g/mol, XLogP of 6.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,3,3-trifluoro-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]propyl]-3-[3-(trifluoromethyl)phenyl]piperidine is sourced from PubChem (CID 75202207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).