3-[3-methoxy-4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid

C21H20F3N3O4 — CID 67975326

IUPAC3-[3-methoxy-4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid
SMILESCOc1cc(OCC(C)(C)C(=O)O)ccc1-c1ccc(-c2ncc(C(F)(F)F)[nH]2)cn1
InChIInChI=1S/C21H20F3N3O4/c1-20(2,19(28)29)11-31-13-5-6-14(16(8-13)30-3)15-7-4-12(9-25-15)18-26-10-17(27-18)21(22,23)24/h4-10H,11H2,1-3H3,(H,26,27)(H,28,29)
InChIKeySCKAADPVOJQLBA-UHFFFAOYSA-N
MW435.40 g/mol
LogP4.66
Rot. Bonds7

About 3-[3-methoxy-4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid

3-[3-methoxy-4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid (PubChem CID 67975326) has the molecular formula C21H20F3N3O4 and a molecular weight of 435.40 g/mol. Its IUPAC name is 3-[3-methoxy-4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[3-methoxy-4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid
PubChem CID67975326
Molecular FormulaC21H20F3N3O4
Molecular Weight435.40 g/mol
Exact Mass435.14
IUPAC Name3-[3-methoxy-4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid
SMILESCOc1cc(OCC(C)(C)C(=O)O)ccc1-c1ccc(-c2ncc(C(F)(F)F)[nH]2)cn1
InChIInChI=1S/C21H20F3N3O4/c1-20(2,19(28)29)11-31-13-5-6-14(16(8-13)30-3)15-7-4-12(9-25-15)18-26-10-17(27-18)21(22,23)24/h4-10H,11H2,1-3H3,(H,26,27)(H,28,29)
InChIKeySCKAADPVOJQLBA-UHFFFAOYSA-N
XLogP4.66
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.40
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[3-methoxy-4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid with MolForge

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Related Compounds

4-[2-(4-Chloro-phenyl)-5-(2,4-dibutoxy-phenyl)-3H-imidazol-4-yl]-pyridine
CID 9891138
7-{3-[4-(3H-Imidazol-4-yl)-3-methoxy-2-propyl-phenoxy]-propoxy}-8-propyl-chroman-2-carboxylic acid
CID 10391552
(3S)-3-amino-3-[5-[4-[(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]butanoic acid
CID 25008421
4-[2-(4-Chloro-phenyl)-5-(2,4-dipropoxy-phenyl)-3H-imidazol-4-yl]-pyridine
CID 44319713
(3S)-3-amino-3-[5-[4-[(4-phenylphenyl)methoxy]-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]propanoic acid
CID 58725140
2,2-dimethyl-3-[4-methyl-5-[3-methyl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]pyridin-2-yl]oxypropanoic acid
CID 57411099
3-[(5-{3-fluoro-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl}-4-methylpyridin-2-yl)oxy]-2,2-dimethylpropanoic acid
CID 57411100
1-{[(5-{3-fluoro-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl}-4-methylpyridin-2-yl)oxy]methyl}cyclobutanecarboxylic acid
CID 57411218
2-ethyl-2-[[5-[6-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-3-yl]pyridin-2-yl]oxymethyl]butanoic acid
CID 68053926
2,2-dimethyl-3-[4-methyl-5-[4-[5-[1-(trifluoromethyl)cyclopropyl]-1H-imidazol-2-yl]phenyl]pyridin-2-yl]oxypropanoic acid
CID 89831308
2,2-dimethyl-3-[4-methyl-5-[5-methyl-6-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-3-yl]pyridin-2-yl]oxypropanoic acid
CID 89831364
3-[3-fluoro-5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]pyridin-2-yl]oxy-2,2-dimethylpropanoic acid
CID 89831387

Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxy-4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[3-methoxy-4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid (CID 67975326) is 3-[3-methoxy-4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[3-methoxy-4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[3-methoxy-4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid is COc1cc(OCC(C)(C)C(=O)O)ccc1-c1ccc(-c2ncc(C(F)(F)F)[nH]2)cn1.
What is the InChIKey of 3-[3-methoxy-4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid?
The InChIKey is SCKAADPVOJQLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O4/c1-20(2,19(28)29)11-31-13-5-6-14(16(8-13)30-3)15-7-4-12(9-25-15)18-26-10-17(27-18)21(22,23)24/h4-10H,11H2,1-3H3,(H,26,27)(H,28,29).
What are the key properties of 3-[3-methoxy-4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid?
3-[3-methoxy-4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid has a molecular weight of 435.40 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxy-4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 67975326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).