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

C22H22F3N3O — CID 71017369

IUPAC1-[2-methyl-4-[2-[2-(trifluoromethoxy)phenyl]-4H-imidazol-5-yl]phenyl]piperidine
SMILESCc1cc(C2=NC(c3ccccc3OC(F)(F)F)=NC2)ccc1N1CCCCC1
InChIInChI=1S/C22H22F3N3O/c1-15-13-16(9-10-19(15)28-11-5-2-6-12-28)18-14-26-21(27-18)17-7-3-4-8-20(17)29-22(23,24)25/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3
InChIKeyNELAVTXXLNDNGQ-UHFFFAOYSA-N
MW401.43 g/mol
LogP5.13
Rot. Bonds4

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

1-[2-methyl-4-[2-[2-(trifluoromethoxy)phenyl]-4H-imidazol-5-yl]phenyl]piperidine (PubChem CID 71017369) has the molecular formula C22H22F3N3O and a molecular weight of 401.43 g/mol. Its IUPAC name is 1-[2-methyl-4-[2-[2-(trifluoromethoxy)phenyl]-4H-imidazol-5-yl]phenyl]piperidine.

Molecular Properties

Compound Name1-[2-methyl-4-[2-[2-(trifluoromethoxy)phenyl]-4H-imidazol-5-yl]phenyl]piperidine
PubChem CID71017369
Molecular FormulaC22H22F3N3O
Molecular Weight401.43 g/mol
Exact Mass401.17
IUPAC Name1-[2-methyl-4-[2-[2-(trifluoromethoxy)phenyl]-4H-imidazol-5-yl]phenyl]piperidine
SMILESCc1cc(C2=NC(c3ccccc3OC(F)(F)F)=NC2)ccc1N1CCCCC1
InChIInChI=1S/C22H22F3N3O/c1-15-13-16(9-10-19(15)28-11-5-2-6-12-28)18-14-26-21(27-18)17-7-3-4-8-20(17)29-22(23,24)25/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3
InChIKeyNELAVTXXLNDNGQ-UHFFFAOYSA-N
XLogP5.13
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.43
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-[2-[2-(trifluoromethoxy)phenyl]-4H-imidazol-5-yl]phenyl]piperidine?
The IUPAC name of 1-[2-methyl-4-[2-[2-(trifluoromethoxy)phenyl]-4H-imidazol-5-yl]phenyl]piperidine (CID 71017369) is 1-[2-methyl-4-[2-[2-(trifluoromethoxy)phenyl]-4H-imidazol-5-yl]phenyl]piperidine.
What is the SMILES notation for 1-[2-methyl-4-[2-[2-(trifluoromethoxy)phenyl]-4H-imidazol-5-yl]phenyl]piperidine?
The canonical SMILES for 1-[2-methyl-4-[2-[2-(trifluoromethoxy)phenyl]-4H-imidazol-5-yl]phenyl]piperidine is Cc1cc(C2=NC(c3ccccc3OC(F)(F)F)=NC2)ccc1N1CCCCC1.
What is the InChIKey of 1-[2-methyl-4-[2-[2-(trifluoromethoxy)phenyl]-4H-imidazol-5-yl]phenyl]piperidine?
The InChIKey is NELAVTXXLNDNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O/c1-15-13-16(9-10-19(15)28-11-5-2-6-12-28)18-14-26-21(27-18)17-7-3-4-8-20(17)29-22(23,24)25/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3.
What are the key properties of 1-[2-methyl-4-[2-[2-(trifluoromethoxy)phenyl]-4H-imidazol-5-yl]phenyl]piperidine?
1-[2-methyl-4-[2-[2-(trifluoromethoxy)phenyl]-4H-imidazol-5-yl]phenyl]piperidine has a molecular weight of 401.43 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-[2-[2-(trifluoromethoxy)phenyl]-4H-imidazol-5-yl]phenyl]piperidine is sourced from PubChem (CID 71017369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).