2-[4-[(Z)-3-(4-imidazol-1-ylphenyl)but-2-enoxy]phenoxy]-2-methylpropanoic acid

C23H24N2O4 — CID 11383784

IUPAC2-[4-[(Z)-3-(4-imidazol-1-ylphenyl)but-2-enoxy]phenoxy]-2-methylpropanoic acid
SMILESC/C(=C/COc1ccc(OC(C)(C)C(=O)O)cc1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C23H24N2O4/c1-17(18-4-6-19(7-5-18)25-14-13-24-16-25)12-15-28-20-8-10-21(11-9-20)29-23(2,3)22(26)27/h4-14,16H,15H2,1-3H3,(H,26,27)/b17-12-
InChIKeyWQBKMUFKVHQEBX-ATVHPVEESA-N
MW392.46 g/mol
LogP4.60
Rot. Bonds8

About 2-[4-[(Z)-3-(4-imidazol-1-ylphenyl)but-2-enoxy]phenoxy]-2-methylpropanoic acid

2-[4-[(Z)-3-(4-imidazol-1-ylphenyl)but-2-enoxy]phenoxy]-2-methylpropanoic acid (PubChem CID 11383784) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[4-[(Z)-3-(4-imidazol-1-ylphenyl)but-2-enoxy]phenoxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[(Z)-3-(4-imidazol-1-ylphenyl)but-2-enoxy]phenoxy]-2-methylpropanoic acid
PubChem CID11383784
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name2-[4-[(Z)-3-(4-imidazol-1-ylphenyl)but-2-enoxy]phenoxy]-2-methylpropanoic acid
SMILESC/C(=C/COc1ccc(OC(C)(C)C(=O)O)cc1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C23H24N2O4/c1-17(18-4-6-19(7-5-18)25-14-13-24-16-25)12-15-28-20-8-10-21(11-9-20)29-23(2,3)22(26)27/h4-14,16H,15H2,1-3H3,(H,26,27)/b17-12-
InChIKeyWQBKMUFKVHQEBX-ATVHPVEESA-N
XLogP4.60
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(E)-3-(4-imidazol-1-ylphenyl)but-2-enoxy]phenoxy]-2-methylbutanoic acid
CID 58816043
2-[4-[3-[4-(4-fluorophenyl)phenyl]but-2-enoxy]phenoxy]-2-methylpropanoic acid
CID 72772775
1-(4-prop-2-enoxyphenyl)imidazole
CID 67611559
(4-imidazol-1-ylphenyl) acetate
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1-(4-imidazol-1-ylphenoxy)-2-methylpropan-2-amine;dihydrochloride
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(2S)-2-[4-[(E)-3-[4-(4-fluorophenyl)phenyl]but-2-enoxy]phenoxy]-2,3-dimethylbut-3-enoic acid
CID 143039224
2-[4-(benzotriazol-2-yl)phenoxy]-2-methylpropanoic acid
CID 11948654
1-(4-ethoxyphenyl)imidazole;nitric acid
CID 24839007
4-[2-[4-(2-carboxypropan-2-yloxy)phenyl]ethoxy]benzoic acid
CID 141111736
1-[4-[(4-imidazol-1-ylphenoxy)methyl]phenyl]imidazole
CID 132544165
4-(4-ethoxyphenyl)-N-(4-imidazol-1-ylphenyl)-4-oxobutanamide
CID 37239017
N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-4-imidazol-1-yl-N-methylbenzamide
CID 110026224

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-3-(4-imidazol-1-ylphenyl)but-2-enoxy]phenoxy]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[(Z)-3-(4-imidazol-1-ylphenyl)but-2-enoxy]phenoxy]-2-methylpropanoic acid (CID 11383784) is 2-[4-[(Z)-3-(4-imidazol-1-ylphenyl)but-2-enoxy]phenoxy]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[(Z)-3-(4-imidazol-1-ylphenyl)but-2-enoxy]phenoxy]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[(Z)-3-(4-imidazol-1-ylphenyl)but-2-enoxy]phenoxy]-2-methylpropanoic acid is C/C(=C/COc1ccc(OC(C)(C)C(=O)O)cc1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 2-[4-[(Z)-3-(4-imidazol-1-ylphenyl)but-2-enoxy]phenoxy]-2-methylpropanoic acid?
The InChIKey is WQBKMUFKVHQEBX-ATVHPVEESA-N. The full InChI is InChI=1S/C23H24N2O4/c1-17(18-4-6-19(7-5-18)25-14-13-24-16-25)12-15-28-20-8-10-21(11-9-20)29-23(2,3)22(26)27/h4-14,16H,15H2,1-3H3,(H,26,27)/b17-12-.
What are the key properties of 2-[4-[(Z)-3-(4-imidazol-1-ylphenyl)but-2-enoxy]phenoxy]-2-methylpropanoic acid?
2-[4-[(Z)-3-(4-imidazol-1-ylphenyl)but-2-enoxy]phenoxy]-2-methylpropanoic acid has a molecular weight of 392.46 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-3-(4-imidazol-1-ylphenyl)but-2-enoxy]phenoxy]-2-methylpropanoic acid is sourced from PubChem (CID 11383784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).