2-thiophen-2-yl-1H-benzimidazole-4-carboxylic acid

C12H8N2O2S — CID 16740773

IUPAC2-thiophen-2-yl-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2[nH]c(-c3cccs3)nc12
InChIInChI=1S/C12H8N2O2S/c15-12(16)7-3-1-4-8-10(7)14-11(13-8)9-5-2-6-17-9/h1-6H,(H,13,14)(H,15,16)
InChIKeyOQFMKFSAZCQYAK-UHFFFAOYSA-N
MW244.28 g/mol
LogP2.99
Rot. Bonds2

About 2-thiophen-2-yl-1H-benzimidazole-4-carboxylic acid

2-thiophen-2-yl-1H-benzimidazole-4-carboxylic acid (PubChem CID 16740773) has the molecular formula C12H8N2O2S and a molecular weight of 244.28 g/mol. Its IUPAC name is 2-thiophen-2-yl-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-thiophen-2-yl-1H-benzimidazole-4-carboxylic acid
PubChem CID16740773
Molecular FormulaC12H8N2O2S
Molecular Weight244.28 g/mol
Exact Mass244.03
IUPAC Name2-thiophen-2-yl-1H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2[nH]c(-c3cccs3)nc12
InChIInChI=1S/C12H8N2O2S/c15-12(16)7-3-1-4-8-10(7)14-11(13-8)9-5-2-6-17-9/h1-6H,(H,13,14)(H,15,16)
InChIKeyOQFMKFSAZCQYAK-UHFFFAOYSA-N
XLogP2.99
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-thiophen-2-yl-1H-benzimidazole-4-carboxylic 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-thiophen-2-yl-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 2-thiophen-2-yl-1H-benzimidazole-4-carboxylic acid (CID 16740773) is 2-thiophen-2-yl-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-thiophen-2-yl-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-thiophen-2-yl-1H-benzimidazole-4-carboxylic acid is O=C(O)c1cccc2[nH]c(-c3cccs3)nc12.
What is the InChIKey of 2-thiophen-2-yl-1H-benzimidazole-4-carboxylic acid?
The InChIKey is OQFMKFSAZCQYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2S/c15-12(16)7-3-1-4-8-10(7)14-11(13-8)9-5-2-6-17-9/h1-6H,(H,13,14)(H,15,16).
What are the key properties of 2-thiophen-2-yl-1H-benzimidazole-4-carboxylic acid?
2-thiophen-2-yl-1H-benzimidazole-4-carboxylic acid has a molecular weight of 244.28 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 16740773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).