2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]acetic acid

C13H11N3O2S — CID 43168785

IUPAC2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]acetic acid
SMILESCc1ncsc1-c1nc2ccccc2n1CC(=O)O
InChIInChI=1S/C13H11N3O2S/c1-8-12(19-7-14-8)13-15-9-4-2-3-5-10(9)16(13)6-11(17)18/h2-5,7H,6H2,1H3,(H,17,18)
InChIKeyWIRBKKOIWQAZNX-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.55
Rot. Bonds3

About 2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]acetic acid

2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]acetic acid (PubChem CID 43168785) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]acetic acid
PubChem CID43168785
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC Name2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]acetic acid
SMILESCc1ncsc1-c1nc2ccccc2n1CC(=O)O
InChIInChI=1S/C13H11N3O2S/c1-8-12(19-7-14-8)13-15-9-4-2-3-5-10(9)16(13)6-11(17)18/h2-5,7H,6H2,1H3,(H,17,18)
InChIKeyWIRBKKOIWQAZNX-UHFFFAOYSA-N
XLogP2.55
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]acetic 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-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]acetic acid?
The IUPAC name of 2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]acetic acid (CID 43168785) is 2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]acetic acid is Cc1ncsc1-c1nc2ccccc2n1CC(=O)O.
What is the InChIKey of 2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]acetic acid?
The InChIKey is WIRBKKOIWQAZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c1-8-12(19-7-14-8)13-15-9-4-2-3-5-10(9)16(13)6-11(17)18/h2-5,7H,6H2,1H3,(H,17,18).
What are the key properties of 2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]acetic acid?
2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]acetic acid has a molecular weight of 273.32 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]acetic acid is sourced from PubChem (CID 43168785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).