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

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

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Related Compounds

5-(4-Methoxyphenyl)-2-phenyl-1H-imidazole
CID 12024852
2-(4-Fluoro-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidine
CID 9910722
2-Phenoxy-4-[1-(piperidine-4-yl)-4-(4-fluorophenyl)-5-imidazolyl]pyrimidine
CID 15872388
6-Amino-2-(4-fluorophenyl)-4-benzyloxy-3-(4-pyridyl)-1h-pyrrolo[2,3-b]pyridine
CID 10386848
1-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methoxyphenyl)-4-pyridinyl]piperidin-4-amine
CID 118057675
Piperazine, 1-(2-methoxyphenyl)-4-[(2-phenyl-1H-imidazol-4-yl)methyl]-
CID 2812858
4-(3-methoxyphenyl)-2-phenyl-1H-imidazole
CID 18673160
4-(2-Tert-Butyl-4-(6-Methoxynaphthalen-2-Yl)-3h-Imidazol-4-Yl)pyridin-2-Amine
CID 56928046
Kallikrein 5-IN-2
CID 138115400
7-(cyclohexylmethyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538790
4-[2-tert-butyl-4-(6-methoxy-2-naphthyl)-1H-imidazol-5-yl]pyridine
CID 9820123
2-(4-Chlorophenyl)-4-(2-phenoxyphenyl)-5-(4-pyridinyl)-1H-imidazole
CID 10093802

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).