3-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]hexanoic acid

C16H17N3O2S — CID 134694475

IUPAC3-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]hexanoic acid
SMILESCCCC(CC(=O)O)n1c(-c2cscn2)nc2ccccc21
InChIInChI=1S/C16H17N3O2S/c1-2-5-11(8-15(20)21)19-14-7-4-3-6-12(14)18-16(19)13-9-22-10-17-13/h3-4,6-7,9-11H,2,5,8H2,1H3,(H,20,21)
InChIKeySBCPCGWGHMBLAM-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.98
Rot. Bonds6

About 3-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]hexanoic acid

3-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]hexanoic acid (PubChem CID 134694475) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 3-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]hexanoic acid.

Molecular Properties

Compound Name3-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]hexanoic acid
PubChem CID134694475
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name3-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]hexanoic acid
SMILESCCCC(CC(=O)O)n1c(-c2cscn2)nc2ccccc21
InChIInChI=1S/C16H17N3O2S/c1-2-5-11(8-15(20)21)19-14-7-4-3-6-12(14)18-16(19)13-9-22-10-17-13/h3-4,6-7,9-11H,2,5,8H2,1H3,(H,20,21)
InChIKeySBCPCGWGHMBLAM-UHFFFAOYSA-N
XLogP3.98
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]hexanoic 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 3-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]hexanoic acid?
The IUPAC name of 3-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]hexanoic acid (CID 134694475) is 3-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]hexanoic acid.
What is the SMILES notation for 3-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]hexanoic acid?
The canonical SMILES for 3-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]hexanoic acid is CCCC(CC(=O)O)n1c(-c2cscn2)nc2ccccc21.
What is the InChIKey of 3-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]hexanoic acid?
The InChIKey is SBCPCGWGHMBLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-2-5-11(8-15(20)21)19-14-7-4-3-6-12(14)18-16(19)13-9-22-10-17-13/h3-4,6-7,9-11H,2,5,8H2,1H3,(H,20,21).
What are the key properties of 3-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]hexanoic acid?
3-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]hexanoic acid has a molecular weight of 315.40 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]hexanoic acid is sourced from PubChem (CID 134694475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).