2-[3-(4-fluorophenyl)-2-thiophen-3-ylbenzimidazol-5-yl]oxyhexanoic acid

C23H21FN2O3S — CID 142668347

IUPAC2-[3-(4-fluorophenyl)-2-thiophen-3-ylbenzimidazol-5-yl]oxyhexanoic acid
SMILESCCCCC(Oc1ccc2nc(-c3ccsc3)n(-c3ccc(F)cc3)c2c1)C(=O)O
InChIInChI=1S/C23H21FN2O3S/c1-2-3-4-21(23(27)28)29-18-9-10-19-20(13-18)26(17-7-5-16(24)6-8-17)22(25-19)15-11-12-30-14-15/h5-14,21H,2-4H2,1H3,(H,27,28)
InChIKeyTWGXRARVDKPOBX-UHFFFAOYSA-N
MW424.50 g/mol
LogP5.92
Rot. Bonds8

About 2-[3-(4-fluorophenyl)-2-thiophen-3-ylbenzimidazol-5-yl]oxyhexanoic acid

2-[3-(4-fluorophenyl)-2-thiophen-3-ylbenzimidazol-5-yl]oxyhexanoic acid (PubChem CID 142668347) has the molecular formula C23H21FN2O3S and a molecular weight of 424.50 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-2-thiophen-3-ylbenzimidazol-5-yl]oxyhexanoic acid.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-2-thiophen-3-ylbenzimidazol-5-yl]oxyhexanoic acid
PubChem CID142668347
Molecular FormulaC23H21FN2O3S
Molecular Weight424.50 g/mol
Exact Mass424.13
IUPAC Name2-[3-(4-fluorophenyl)-2-thiophen-3-ylbenzimidazol-5-yl]oxyhexanoic acid
SMILESCCCCC(Oc1ccc2nc(-c3ccsc3)n(-c3ccc(F)cc3)c2c1)C(=O)O
InChIInChI=1S/C23H21FN2O3S/c1-2-3-4-21(23(27)28)29-18-9-10-19-20(13-18)26(17-7-5-16(24)6-8-17)22(25-19)15-11-12-30-14-15/h5-14,21H,2-4H2,1H3,(H,27,28)
InChIKeyTWGXRARVDKPOBX-UHFFFAOYSA-N
XLogP5.92
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-(4-fluorophenyl)-2-thiophen-3-ylbenzimidazol-5-yl]oxyhexanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-2-thiophen-3-ylbenzimidazol-5-yl]oxyhexanoic acid?
The IUPAC name of 2-[3-(4-fluorophenyl)-2-thiophen-3-ylbenzimidazol-5-yl]oxyhexanoic acid (CID 142668347) is 2-[3-(4-fluorophenyl)-2-thiophen-3-ylbenzimidazol-5-yl]oxyhexanoic acid.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-2-thiophen-3-ylbenzimidazol-5-yl]oxyhexanoic acid?
The canonical SMILES for 2-[3-(4-fluorophenyl)-2-thiophen-3-ylbenzimidazol-5-yl]oxyhexanoic acid is CCCCC(Oc1ccc2nc(-c3ccsc3)n(-c3ccc(F)cc3)c2c1)C(=O)O.
What is the InChIKey of 2-[3-(4-fluorophenyl)-2-thiophen-3-ylbenzimidazol-5-yl]oxyhexanoic acid?
The InChIKey is TWGXRARVDKPOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3S/c1-2-3-4-21(23(27)28)29-18-9-10-19-20(13-18)26(17-7-5-16(24)6-8-17)22(25-19)15-11-12-30-14-15/h5-14,21H,2-4H2,1H3,(H,27,28).
What are the key properties of 2-[3-(4-fluorophenyl)-2-thiophen-3-ylbenzimidazol-5-yl]oxyhexanoic acid?
2-[3-(4-fluorophenyl)-2-thiophen-3-ylbenzimidazol-5-yl]oxyhexanoic acid has a molecular weight of 424.50 g/mol, XLogP of 5.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-2-thiophen-3-ylbenzimidazol-5-yl]oxyhexanoic acid is sourced from PubChem (CID 142668347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).