2-[4-[(2-fluorophenoxy)methyl]cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine

C22H21F4N3O — CID 118134644

IUPAC2-[4-[(2-fluorophenoxy)methyl]cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine
SMILESFc1ccccc1OCC1CCC(c2ccc(-c3ncc(C(F)(F)F)[nH]3)cn2)CC1
InChIInChI=1S/C22H21F4N3O/c23-17-3-1-2-4-19(17)30-13-14-5-7-15(8-6-14)18-10-9-16(11-27-18)21-28-12-20(29-21)22(24,25)26/h1-4,9-12,14-15H,5-8,13H2,(H,28,29)
InChIKeyUXUZDWILSDFXFM-UHFFFAOYSA-N
MW419.42 g/mol
LogP5.98
Rot. Bonds5

About 2-[4-[(2-fluorophenoxy)methyl]cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine

2-[4-[(2-fluorophenoxy)methyl]cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine (PubChem CID 118134644) has the molecular formula C22H21F4N3O and a molecular weight of 419.42 g/mol. Its IUPAC name is 2-[4-[(2-fluorophenoxy)methyl]cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine.

Molecular Properties

Compound Name2-[4-[(2-fluorophenoxy)methyl]cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine
PubChem CID118134644
Molecular FormulaC22H21F4N3O
Molecular Weight419.42 g/mol
Exact Mass419.16
IUPAC Name2-[4-[(2-fluorophenoxy)methyl]cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine
SMILESFc1ccccc1OCC1CCC(c2ccc(-c3ncc(C(F)(F)F)[nH]3)cn2)CC1
InChIInChI=1S/C22H21F4N3O/c23-17-3-1-2-4-19(17)30-13-14-5-7-15(8-6-14)18-10-9-16(11-27-18)21-28-12-20(29-21)22(24,25)26/h1-4,9-12,14-15H,5-8,13H2,(H,28,29)
InChIKeyUXUZDWILSDFXFM-UHFFFAOYSA-N
XLogP5.98
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.42
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-fluorophenoxy)methyl]cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine?
The IUPAC name of 2-[4-[(2-fluorophenoxy)methyl]cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine (CID 118134644) is 2-[4-[(2-fluorophenoxy)methyl]cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine.
What is the SMILES notation for 2-[4-[(2-fluorophenoxy)methyl]cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine?
The canonical SMILES for 2-[4-[(2-fluorophenoxy)methyl]cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine is Fc1ccccc1OCC1CCC(c2ccc(-c3ncc(C(F)(F)F)[nH]3)cn2)CC1.
What is the InChIKey of 2-[4-[(2-fluorophenoxy)methyl]cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine?
The InChIKey is UXUZDWILSDFXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F4N3O/c23-17-3-1-2-4-19(17)30-13-14-5-7-15(8-6-14)18-10-9-16(11-27-18)21-28-12-20(29-21)22(24,25)26/h1-4,9-12,14-15H,5-8,13H2,(H,28,29).
What are the key properties of 2-[4-[(2-fluorophenoxy)methyl]cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine?
2-[4-[(2-fluorophenoxy)methyl]cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine has a molecular weight of 419.42 g/mol, XLogP of 5.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-fluorophenoxy)methyl]cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine is sourced from PubChem (CID 118134644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).