[4-[[2-[3-(2,2,2-trifluoroethyl)phenyl]imidazol-1-yl]methyl]cyclohexyl]methanol

C19H23F3N2O — CID 155911999

IUPAC[4-[[2-[3-(2,2,2-trifluoroethyl)phenyl]imidazol-1-yl]methyl]cyclohexyl]methanol
SMILESOCC1CCC(Cn2ccnc2-c2cccc(CC(F)(F)F)c2)CC1
InChIInChI=1S/C19H23F3N2O/c20-19(21,22)11-16-2-1-3-17(10-16)18-23-8-9-24(18)12-14-4-6-15(13-25)7-5-14/h1-3,8-10,14-15,25H,4-7,11-13H2
InChIKeyUDPMFEMRCXYKMA-UHFFFAOYSA-N
MW352.40 g/mol
LogP4.45
Rot. Bonds5

About [4-[[2-[3-(2,2,2-trifluoroethyl)phenyl]imidazol-1-yl]methyl]cyclohexyl]methanol

[4-[[2-[3-(2,2,2-trifluoroethyl)phenyl]imidazol-1-yl]methyl]cyclohexyl]methanol (PubChem CID 155911999) has the molecular formula C19H23F3N2O and a molecular weight of 352.40 g/mol. Its IUPAC name is [4-[[2-[3-(2,2,2-trifluoroethyl)phenyl]imidazol-1-yl]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[[2-[3-(2,2,2-trifluoroethyl)phenyl]imidazol-1-yl]methyl]cyclohexyl]methanol
PubChem CID155911999
Molecular FormulaC19H23F3N2O
Molecular Weight352.40 g/mol
Exact Mass352.18
IUPAC Name[4-[[2-[3-(2,2,2-trifluoroethyl)phenyl]imidazol-1-yl]methyl]cyclohexyl]methanol
SMILESOCC1CCC(Cn2ccnc2-c2cccc(CC(F)(F)F)c2)CC1
InChIInChI=1S/C19H23F3N2O/c20-19(21,22)11-16-2-1-3-17(10-16)18-23-8-9-24(18)12-14-4-6-15(13-25)7-5-14/h1-3,8-10,14-15,25H,4-7,11-13H2
InChIKeyUDPMFEMRCXYKMA-UHFFFAOYSA-N
XLogP4.45
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[[2-[3-(2,2,2-trifluoroethyl)phenyl]imidazol-1-yl]methyl]cyclohexyl]methanol?
The IUPAC name of [4-[[2-[3-(2,2,2-trifluoroethyl)phenyl]imidazol-1-yl]methyl]cyclohexyl]methanol (CID 155911999) is [4-[[2-[3-(2,2,2-trifluoroethyl)phenyl]imidazol-1-yl]methyl]cyclohexyl]methanol.
What is the SMILES notation for [4-[[2-[3-(2,2,2-trifluoroethyl)phenyl]imidazol-1-yl]methyl]cyclohexyl]methanol?
The canonical SMILES for [4-[[2-[3-(2,2,2-trifluoroethyl)phenyl]imidazol-1-yl]methyl]cyclohexyl]methanol is OCC1CCC(Cn2ccnc2-c2cccc(CC(F)(F)F)c2)CC1.
What is the InChIKey of [4-[[2-[3-(2,2,2-trifluoroethyl)phenyl]imidazol-1-yl]methyl]cyclohexyl]methanol?
The InChIKey is UDPMFEMRCXYKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O/c20-19(21,22)11-16-2-1-3-17(10-16)18-23-8-9-24(18)12-14-4-6-15(13-25)7-5-14/h1-3,8-10,14-15,25H,4-7,11-13H2.
What are the key properties of [4-[[2-[3-(2,2,2-trifluoroethyl)phenyl]imidazol-1-yl]methyl]cyclohexyl]methanol?
[4-[[2-[3-(2,2,2-trifluoroethyl)phenyl]imidazol-1-yl]methyl]cyclohexyl]methanol has a molecular weight of 352.40 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-[3-(2,2,2-trifluoroethyl)phenyl]imidazol-1-yl]methyl]cyclohexyl]methanol is sourced from PubChem (CID 155911999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).