2-(3-phenyl-2-thiophen-3-ylbenzimidazol-5-yl)oxyhexanoic acid

C23H22N2O3S — CID 142668346

IUPAC2-(3-phenyl-2-thiophen-3-ylbenzimidazol-5-yl)oxyhexanoic acid
SMILESCCCCC(Oc1ccc2nc(-c3ccsc3)n(-c3ccccc3)c2c1)C(=O)O
InChIInChI=1S/C23H22N2O3S/c1-2-3-9-21(23(26)27)28-18-10-11-19-20(14-18)25(17-7-5-4-6-8-17)22(24-19)16-12-13-29-15-16/h4-8,10-15,21H,2-3,9H2,1H3,(H,26,27)
InChIKeySSBGZBBMUKSWJX-UHFFFAOYSA-N
MW406.51 g/mol
LogP5.78
Rot. Bonds8

About 2-(3-phenyl-2-thiophen-3-ylbenzimidazol-5-yl)oxyhexanoic acid

2-(3-phenyl-2-thiophen-3-ylbenzimidazol-5-yl)oxyhexanoic acid (PubChem CID 142668346) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is 2-(3-phenyl-2-thiophen-3-ylbenzimidazol-5-yl)oxyhexanoic acid.

Molecular Properties

Compound Name2-(3-phenyl-2-thiophen-3-ylbenzimidazol-5-yl)oxyhexanoic acid
PubChem CID142668346
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC Name2-(3-phenyl-2-thiophen-3-ylbenzimidazol-5-yl)oxyhexanoic acid
SMILESCCCCC(Oc1ccc2nc(-c3ccsc3)n(-c3ccccc3)c2c1)C(=O)O
InChIInChI=1S/C23H22N2O3S/c1-2-3-9-21(23(26)27)28-18-10-11-19-20(14-18)25(17-7-5-4-6-8-17)22(24-19)16-12-13-29-15-16/h4-8,10-15,21H,2-3,9H2,1H3,(H,26,27)
InChIKeySSBGZBBMUKSWJX-UHFFFAOYSA-N
XLogP5.78
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.51
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-phenyl-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-phenyl-2-thiophen-3-ylbenzimidazol-5-yl)oxyhexanoic acid?
The IUPAC name of 2-(3-phenyl-2-thiophen-3-ylbenzimidazol-5-yl)oxyhexanoic acid (CID 142668346) is 2-(3-phenyl-2-thiophen-3-ylbenzimidazol-5-yl)oxyhexanoic acid.
What is the SMILES notation for 2-(3-phenyl-2-thiophen-3-ylbenzimidazol-5-yl)oxyhexanoic acid?
The canonical SMILES for 2-(3-phenyl-2-thiophen-3-ylbenzimidazol-5-yl)oxyhexanoic acid is CCCCC(Oc1ccc2nc(-c3ccsc3)n(-c3ccccc3)c2c1)C(=O)O.
What is the InChIKey of 2-(3-phenyl-2-thiophen-3-ylbenzimidazol-5-yl)oxyhexanoic acid?
The InChIKey is SSBGZBBMUKSWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S/c1-2-3-9-21(23(26)27)28-18-10-11-19-20(14-18)25(17-7-5-4-6-8-17)22(24-19)16-12-13-29-15-16/h4-8,10-15,21H,2-3,9H2,1H3,(H,26,27).
What are the key properties of 2-(3-phenyl-2-thiophen-3-ylbenzimidazol-5-yl)oxyhexanoic acid?
2-(3-phenyl-2-thiophen-3-ylbenzimidazol-5-yl)oxyhexanoic acid has a molecular weight of 406.51 g/mol, XLogP of 5.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenyl-2-thiophen-3-ylbenzimidazol-5-yl)oxyhexanoic acid is sourced from PubChem (CID 142668346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).