2-methyl-1-[4-[2-[2-(trifluoromethoxy)phenyl]-4H-imidazol-5-yl]-2-(trifluoromethyl)phenyl]piperidine

C23H21F6N3O — CID 89191322

IUPAC2-methyl-1-[4-[2-[2-(trifluoromethoxy)phenyl]-4H-imidazol-5-yl]-2-(trifluoromethyl)phenyl]piperidine
SMILESCC1CCCCN1c1ccc(C2=NC(c3ccccc3OC(F)(F)F)=NC2)cc1C(F)(F)F
InChIInChI=1S/C23H21F6N3O/c1-14-6-4-5-11-32(14)19-10-9-15(12-17(19)22(24,25)26)18-13-30-21(31-18)16-7-2-3-8-20(16)33-23(27,28)29/h2-3,7-10,12,14H,4-6,11,13H2,1H3
InChIKeyMHANVLDPIRCIPD-UHFFFAOYSA-N
MW469.43 g/mol
LogP6.23
Rot. Bonds4

About 2-methyl-1-[4-[2-[2-(trifluoromethoxy)phenyl]-4H-imidazol-5-yl]-2-(trifluoromethyl)phenyl]piperidine

2-methyl-1-[4-[2-[2-(trifluoromethoxy)phenyl]-4H-imidazol-5-yl]-2-(trifluoromethyl)phenyl]piperidine (PubChem CID 89191322) has the molecular formula C23H21F6N3O and a molecular weight of 469.43 g/mol. Its IUPAC name is 2-methyl-1-[4-[2-[2-(trifluoromethoxy)phenyl]-4H-imidazol-5-yl]-2-(trifluoromethyl)phenyl]piperidine.

Molecular Properties

Compound Name2-methyl-1-[4-[2-[2-(trifluoromethoxy)phenyl]-4H-imidazol-5-yl]-2-(trifluoromethyl)phenyl]piperidine
PubChem CID89191322
Molecular FormulaC23H21F6N3O
Molecular Weight469.43 g/mol
Exact Mass469.16
IUPAC Name2-methyl-1-[4-[2-[2-(trifluoromethoxy)phenyl]-4H-imidazol-5-yl]-2-(trifluoromethyl)phenyl]piperidine
SMILESCC1CCCCN1c1ccc(C2=NC(c3ccccc3OC(F)(F)F)=NC2)cc1C(F)(F)F
InChIInChI=1S/C23H21F6N3O/c1-14-6-4-5-11-32(14)19-10-9-15(12-17(19)22(24,25)26)18-13-30-21(31-18)16-7-2-3-8-20(16)33-23(27,28)29/h2-3,7-10,12,14H,4-6,11,13H2,1H3
InChIKeyMHANVLDPIRCIPD-UHFFFAOYSA-N
XLogP6.23
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.43
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[2-[2-(trifluoromethoxy)phenyl]-4H-imidazol-5-yl]-2-(trifluoromethyl)phenyl]piperidine?
The IUPAC name of 2-methyl-1-[4-[2-[2-(trifluoromethoxy)phenyl]-4H-imidazol-5-yl]-2-(trifluoromethyl)phenyl]piperidine (CID 89191322) is 2-methyl-1-[4-[2-[2-(trifluoromethoxy)phenyl]-4H-imidazol-5-yl]-2-(trifluoromethyl)phenyl]piperidine.
What is the SMILES notation for 2-methyl-1-[4-[2-[2-(trifluoromethoxy)phenyl]-4H-imidazol-5-yl]-2-(trifluoromethyl)phenyl]piperidine?
The canonical SMILES for 2-methyl-1-[4-[2-[2-(trifluoromethoxy)phenyl]-4H-imidazol-5-yl]-2-(trifluoromethyl)phenyl]piperidine is CC1CCCCN1c1ccc(C2=NC(c3ccccc3OC(F)(F)F)=NC2)cc1C(F)(F)F.
What is the InChIKey of 2-methyl-1-[4-[2-[2-(trifluoromethoxy)phenyl]-4H-imidazol-5-yl]-2-(trifluoromethyl)phenyl]piperidine?
The InChIKey is MHANVLDPIRCIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F6N3O/c1-14-6-4-5-11-32(14)19-10-9-15(12-17(19)22(24,25)26)18-13-30-21(31-18)16-7-2-3-8-20(16)33-23(27,28)29/h2-3,7-10,12,14H,4-6,11,13H2,1H3.
What are the key properties of 2-methyl-1-[4-[2-[2-(trifluoromethoxy)phenyl]-4H-imidazol-5-yl]-2-(trifluoromethyl)phenyl]piperidine?
2-methyl-1-[4-[2-[2-(trifluoromethoxy)phenyl]-4H-imidazol-5-yl]-2-(trifluoromethyl)phenyl]piperidine has a molecular weight of 469.43 g/mol, XLogP of 6.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[2-[2-(trifluoromethoxy)phenyl]-4H-imidazol-5-yl]-2-(trifluoromethyl)phenyl]piperidine is sourced from PubChem (CID 89191322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).