2-[2-(4-fluorophenyl)ethyl]-5-[2-imidazol-1-yl-1-(1,3-thiazol-2-yl)ethoxy]benzoic acid

C23H20FN3O3S — CID 18324428

IUPAC2-[2-(4-fluorophenyl)ethyl]-5-[2-imidazol-1-yl-1-(1,3-thiazol-2-yl)ethoxy]benzoic acid
SMILESO=C(O)c1cc(OC(Cn2ccnc2)c2nccs2)ccc1CCc1ccc(F)cc1
InChIInChI=1S/C23H20FN3O3S/c24-18-6-2-16(3-7-18)1-4-17-5-8-19(13-20(17)23(28)29)30-21(22-26-10-12-31-22)14-27-11-9-25-15-27/h2-3,5-13,15,21H,1,4,14H2,(H,28,29)
InChIKeyZDKFJEBDMZLBRB-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.78
Rot. Bonds9

About 2-[2-(4-fluorophenyl)ethyl]-5-[2-imidazol-1-yl-1-(1,3-thiazol-2-yl)ethoxy]benzoic acid

2-[2-(4-fluorophenyl)ethyl]-5-[2-imidazol-1-yl-1-(1,3-thiazol-2-yl)ethoxy]benzoic acid (PubChem CID 18324428) has the molecular formula C23H20FN3O3S and a molecular weight of 437.50 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethyl]-5-[2-imidazol-1-yl-1-(1,3-thiazol-2-yl)ethoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethyl]-5-[2-imidazol-1-yl-1-(1,3-thiazol-2-yl)ethoxy]benzoic acid
PubChem CID18324428
Molecular FormulaC23H20FN3O3S
Molecular Weight437.50 g/mol
Exact Mass437.12
IUPAC Name2-[2-(4-fluorophenyl)ethyl]-5-[2-imidazol-1-yl-1-(1,3-thiazol-2-yl)ethoxy]benzoic acid
SMILESO=C(O)c1cc(OC(Cn2ccnc2)c2nccs2)ccc1CCc1ccc(F)cc1
InChIInChI=1S/C23H20FN3O3S/c24-18-6-2-16(3-7-18)1-4-17-5-8-19(13-20(17)23(28)29)30-21(22-26-10-12-31-22)14-27-11-9-25-15-27/h2-3,5-13,15,21H,1,4,14H2,(H,28,29)
InChIKeyZDKFJEBDMZLBRB-UHFFFAOYSA-N
XLogP4.78
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-(4-fluorophenyl)ethyl]-5-[2-imidazol-1-yl-1-(1,3-thiazol-2-yl)ethoxy]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 18324376
CID 18324376
CID 18324404
CID 18324404
CID 18324416
CID 18324416
CID 18324436
CID 18324436
CID 18324473
CID 18324473
CID 18324478
CID 18324478
CID 18324499
CID 18324499
CID 18324507
CID 18324507
CID 53665964
CID 53665964
CID 56993376
CID 56993376
CID 57163699
CID 57163699
CID 57245973
CID 57245973

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethyl]-5-[2-imidazol-1-yl-1-(1,3-thiazol-2-yl)ethoxy]benzoic acid?
The IUPAC name of 2-[2-(4-fluorophenyl)ethyl]-5-[2-imidazol-1-yl-1-(1,3-thiazol-2-yl)ethoxy]benzoic acid (CID 18324428) is 2-[2-(4-fluorophenyl)ethyl]-5-[2-imidazol-1-yl-1-(1,3-thiazol-2-yl)ethoxy]benzoic acid.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethyl]-5-[2-imidazol-1-yl-1-(1,3-thiazol-2-yl)ethoxy]benzoic acid?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethyl]-5-[2-imidazol-1-yl-1-(1,3-thiazol-2-yl)ethoxy]benzoic acid is O=C(O)c1cc(OC(Cn2ccnc2)c2nccs2)ccc1CCc1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethyl]-5-[2-imidazol-1-yl-1-(1,3-thiazol-2-yl)ethoxy]benzoic acid?
The InChIKey is ZDKFJEBDMZLBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3S/c24-18-6-2-16(3-7-18)1-4-17-5-8-19(13-20(17)23(28)29)30-21(22-26-10-12-31-22)14-27-11-9-25-15-27/h2-3,5-13,15,21H,1,4,14H2,(H,28,29).
What are the key properties of 2-[2-(4-fluorophenyl)ethyl]-5-[2-imidazol-1-yl-1-(1,3-thiazol-2-yl)ethoxy]benzoic acid?
2-[2-(4-fluorophenyl)ethyl]-5-[2-imidazol-1-yl-1-(1,3-thiazol-2-yl)ethoxy]benzoic acid has a molecular weight of 437.50 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethyl]-5-[2-imidazol-1-yl-1-(1,3-thiazol-2-yl)ethoxy]benzoic acid is sourced from PubChem (CID 18324428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).