1-[[(1R,2S)-2-[4-(trifluoromethyl)phenoxy]cyclohexyl]methyl]imidazole

C17H19F3N2O — CID 44590981

IUPAC1-[[(1R,2S)-2-[4-(trifluoromethyl)phenoxy]cyclohexyl]methyl]imidazole
SMILESFC(F)(F)c1ccc(O[C@H]2CCCC[C@@H]2Cn2ccnc2)cc1
InChIInChI=1S/C17H19F3N2O/c18-17(19,20)14-5-7-15(8-6-14)23-16-4-2-1-3-13(16)11-22-10-9-21-12-22/h5-10,12-13,16H,1-4,11H2/t13-,16+/m1/s1
InChIKeyCOFDNGLFIOANBW-CJNGLKHVSA-N
MW324.35 g/mol
LogP4.54
Rot. Bonds4

About 1-[[(1R,2S)-2-[4-(trifluoromethyl)phenoxy]cyclohexyl]methyl]imidazole

1-[[(1R,2S)-2-[4-(trifluoromethyl)phenoxy]cyclohexyl]methyl]imidazole (PubChem CID 44590981) has the molecular formula C17H19F3N2O and a molecular weight of 324.35 g/mol. Its IUPAC name is 1-[[(1R,2S)-2-[4-(trifluoromethyl)phenoxy]cyclohexyl]methyl]imidazole.

Molecular Properties

Compound Name1-[[(1R,2S)-2-[4-(trifluoromethyl)phenoxy]cyclohexyl]methyl]imidazole
PubChem CID44590981
Molecular FormulaC17H19F3N2O
Molecular Weight324.35 g/mol
Exact Mass324.14
IUPAC Name1-[[(1R,2S)-2-[4-(trifluoromethyl)phenoxy]cyclohexyl]methyl]imidazole
SMILESFC(F)(F)c1ccc(O[C@H]2CCCC[C@@H]2Cn2ccnc2)cc1
InChIInChI=1S/C17H19F3N2O/c18-17(19,20)14-5-7-15(8-6-14)23-16-4-2-1-3-13(16)11-22-10-9-21-12-22/h5-10,12-13,16H,1-4,11H2/t13-,16+/m1/s1
InChIKeyCOFDNGLFIOANBW-CJNGLKHVSA-N
XLogP4.54
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[(1R,2S)-2-[4-(trifluoromethyl)phenoxy]cyclohexyl]methyl]imidazole?
The IUPAC name of 1-[[(1R,2S)-2-[4-(trifluoromethyl)phenoxy]cyclohexyl]methyl]imidazole (CID 44590981) is 1-[[(1R,2S)-2-[4-(trifluoromethyl)phenoxy]cyclohexyl]methyl]imidazole.
What is the SMILES notation for 1-[[(1R,2S)-2-[4-(trifluoromethyl)phenoxy]cyclohexyl]methyl]imidazole?
The canonical SMILES for 1-[[(1R,2S)-2-[4-(trifluoromethyl)phenoxy]cyclohexyl]methyl]imidazole is FC(F)(F)c1ccc(O[C@H]2CCCC[C@@H]2Cn2ccnc2)cc1.
What is the InChIKey of 1-[[(1R,2S)-2-[4-(trifluoromethyl)phenoxy]cyclohexyl]methyl]imidazole?
The InChIKey is COFDNGLFIOANBW-CJNGLKHVSA-N. The full InChI is InChI=1S/C17H19F3N2O/c18-17(19,20)14-5-7-15(8-6-14)23-16-4-2-1-3-13(16)11-22-10-9-21-12-22/h5-10,12-13,16H,1-4,11H2/t13-,16+/m1/s1.
What are the key properties of 1-[[(1R,2S)-2-[4-(trifluoromethyl)phenoxy]cyclohexyl]methyl]imidazole?
1-[[(1R,2S)-2-[4-(trifluoromethyl)phenoxy]cyclohexyl]methyl]imidazole has a molecular weight of 324.35 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R,2S)-2-[4-(trifluoromethyl)phenoxy]cyclohexyl]methyl]imidazole is sourced from PubChem (CID 44590981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).