1-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]ethanone

C18H19F3N2O — CID 21027535

IUPAC1-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]ethanone
SMILESCC(=O)C1CCC(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1
InChIInChI=1S/C18H19F3N2O/c1-11(24)12-5-7-13(8-6-12)17-22-10-16(23-17)14-3-2-4-15(9-14)18(19,20)21/h2-4,9-10,12-13H,5-8H2,1H3,(H,22,23)
InChIKeyRVEFENYJWJIKAV-UHFFFAOYSA-N
MW336.36 g/mol
LogP4.96
Rot. Bonds3

About 1-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]ethanone

1-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]ethanone (PubChem CID 21027535) has the molecular formula C18H19F3N2O and a molecular weight of 336.36 g/mol. Its IUPAC name is 1-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]ethanone.

Molecular Properties

Compound Name1-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]ethanone
PubChem CID21027535
Molecular FormulaC18H19F3N2O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC Name1-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]ethanone
SMILESCC(=O)C1CCC(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1
InChIInChI=1S/C18H19F3N2O/c1-11(24)12-5-7-13(8-6-12)17-22-10-16(23-17)14-3-2-4-15(9-14)18(19,20)21/h2-4,9-10,12-13H,5-8H2,1H3,(H,22,23)
InChIKeyRVEFENYJWJIKAV-UHFFFAOYSA-N
XLogP4.96
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-hydroxy-2-methylpropan-2-yl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide
CID 10173110
N-(2-hydroxypropyl)-4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexane-1-carboxamide
CID 10194221
cyclopropyl-[(2R)-2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]methanone
CID 95630311
2-cyclohexyl-5-[3-(trifluoromethyl)phenyl]-1H-imidazole;(1-hydroxy-2-methylpropan-2-yl)carbamic acid
CID 69353333
2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]pyridine
CID 10156114
5-(3-bromophenyl)-2-cyclopropyl-1H-imidazole
CID 89481039
3-(2-cyclopentyl-1H-imidazol-5-yl)phenol
CID 115036762
4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]cyclohexan-1-amine
CID 54928275
4-[[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methyl]benzoic acid
CID 141377215
2-cyclopropyl-5-(4-fluorophenyl)-1H-imidazole
CID 90241425
2-[[4-(2-cyclopropyl-1H-imidazol-5-yl)-2-methylphenoxy]methyl]-3-fluoro-5-(trifluoromethyl)pyridine
CID 145339728
4-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine
CID 43650774

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]ethanone?
The IUPAC name of 1-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]ethanone (CID 21027535) is 1-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]ethanone.
What is the SMILES notation for 1-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]ethanone?
The canonical SMILES for 1-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]ethanone is CC(=O)C1CCC(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1.
What is the InChIKey of 1-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]ethanone?
The InChIKey is RVEFENYJWJIKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O/c1-11(24)12-5-7-13(8-6-12)17-22-10-16(23-17)14-3-2-4-15(9-14)18(19,20)21/h2-4,9-10,12-13H,5-8H2,1H3,(H,22,23).
What are the key properties of 1-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]ethanone?
1-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]ethanone has a molecular weight of 336.36 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]cyclohexyl]ethanone is sourced from PubChem (CID 21027535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).