2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid

C20H24F3N3O3 — CID 118030538

IUPAC2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid
SMILESCC(C)(COC1CCC(c2ccc(-c3ncc(C(F)(F)F)[nH]3)cn2)CC1)C(=O)O
InChIInChI=1S/C20H24F3N3O3/c1-19(2,18(27)28)11-29-14-6-3-12(4-7-14)15-8-5-13(9-24-15)17-25-10-16(26-17)20(21,22)23/h5,8-10,12,14H,3-4,6-7,11H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyUVAVFXDTQIPYEN-UHFFFAOYSA-N
MW411.42 g/mol
LogP4.64
Rot. Bonds6

About 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid

2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid (PubChem CID 118030538) has the molecular formula C20H24F3N3O3 and a molecular weight of 411.42 g/mol. Its IUPAC name is 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid
PubChem CID118030538
Molecular FormulaC20H24F3N3O3
Molecular Weight411.42 g/mol
Exact Mass411.18
IUPAC Name2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid
SMILESCC(C)(COC1CCC(c2ccc(-c3ncc(C(F)(F)F)[nH]3)cn2)CC1)C(=O)O
InChIInChI=1S/C20H24F3N3O3/c1-19(2,18(27)28)11-29-14-6-3-12(4-7-14)15-8-5-13(9-24-15)17-25-10-16(26-17)20(21,22)23/h5,8-10,12,14H,3-4,6-7,11H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyUVAVFXDTQIPYEN-UHFFFAOYSA-N
XLogP4.64
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid;2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid;methyl 2,2-dimethyl-3-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoate
CID 159787879
carbon dioxide;2-[4-[(4-methylphenoxy)methyl]cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine
CID 176547263
2,2-dimethyl-3-[[4-methyl-5-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoic acid
CID 72945047
2,2-dimethyl-3-[4-[4-methyl-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanoic acid
CID 57410856
2-[(1S)-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]cyclohexyl]acetic acid
CID 118134581
2,2-dimethyl-3-[[4-methyl-5-[4-methyl-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]propanoic acid
CID 122548117
2-[(1S)-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]cyclohex-2-en-1-yl]acetic acid
CID 135265663
2-methyl-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine
CID 22759818
2,2-dimethyl-3-[[4-methyl-3-pyridin-3-yl-6-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]oxy]propanoic acid
CID 57410983
2-methyl-5-[[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid
CID 118134630
4-methyl-3-[[1-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid
CID 118030547
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N,2,2-trimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]propanamide
CID 118134589

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid?
The IUPAC name of 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid (CID 118030538) is 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid is CC(C)(COC1CCC(c2ccc(-c3ncc(C(F)(F)F)[nH]3)cn2)CC1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid?
The InChIKey is UVAVFXDTQIPYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O3/c1-19(2,18(27)28)11-29-14-6-3-12(4-7-14)15-8-5-13(9-24-15)17-25-10-16(26-17)20(21,22)23/h5,8-10,12,14H,3-4,6-7,11H2,1-2H3,(H,25,26)(H,27,28).
What are the key properties of 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid?
2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid has a molecular weight of 411.42 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]cyclohexyl]oxypropanoic acid is sourced from PubChem (CID 118030538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).