1-(1-thiophen-2-ylethyl)benzimidazole-4-carboxylic acid

C14H12N2O2S — CID 115543091

IUPAC1-(1-thiophen-2-ylethyl)benzimidazole-4-carboxylic acid
SMILESCC(c1cccs1)n1cnc2c(C(=O)O)cccc21
InChIInChI=1S/C14H12N2O2S/c1-9(12-6-3-7-19-12)16-8-15-13-10(14(17)18)4-2-5-11(13)16/h2-9H,1H3,(H,17,18)
InChIKeyQIBKCTNZDYBELP-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.41
Rot. Bonds3

About 1-(1-thiophen-2-ylethyl)benzimidazole-4-carboxylic acid

1-(1-thiophen-2-ylethyl)benzimidazole-4-carboxylic acid (PubChem CID 115543091) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 1-(1-thiophen-2-ylethyl)benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(1-thiophen-2-ylethyl)benzimidazole-4-carboxylic acid
PubChem CID115543091
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name1-(1-thiophen-2-ylethyl)benzimidazole-4-carboxylic acid
SMILESCC(c1cccs1)n1cnc2c(C(=O)O)cccc21
InChIInChI=1S/C14H12N2O2S/c1-9(12-6-3-7-19-12)16-8-15-13-10(14(17)18)4-2-5-11(13)16/h2-9H,1H3,(H,17,18)
InChIKeyQIBKCTNZDYBELP-UHFFFAOYSA-N
XLogP3.41
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-thiophen-2-ylethyl)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

Related Compounds

1-pentan-3-ylbenzimidazole-4-carboxylic acid
CID 115542982
1-[(2R)-1-hydroxy-3-methylbutan-2-yl]benzimidazole-4-carboxylic acid
CID 115543869
1-[1-(ethylamino)-1-oxopropan-2-yl]benzimidazole-4-carboxylic acid
CID 113332225
1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazole-4-carboxylic acid
CID 115543263
3-(1-thiophen-2-ylpropyl)benzimidazole-4-carboxylic acid
CID 115933112
4-chloro-1-(1-thiophen-2-ylethyl)pyrrole-2-carboxylic acid
CID 114604040
1-(4-methylpiperazin-1-yl)benzimidazole-4-carboxylic acid
CID 83019459
1-(1-thiophen-2-ylbutyl)benzotriazole-4-carboxylic acid
CID 115541794
1-(2,2-difluoroethyl)benzimidazole-4-carboxylic acid
CID 115543983
4-acetyl-1-(1-thiophen-2-ylethyl)pyrrole-2-carboxylic acid
CID 114604042
1-(4-ethylphenyl)benzimidazole-4-carboxylic acid
CID 115542688
1-(2-methyl-3-pyrrolidin-1-ylpropyl)benzimidazole-4-carboxylic acid
CID 115543574

Frequently Asked Questions

What is the IUPAC name of 1-(1-thiophen-2-ylethyl)benzimidazole-4-carboxylic acid?
The IUPAC name of 1-(1-thiophen-2-ylethyl)benzimidazole-4-carboxylic acid (CID 115543091) is 1-(1-thiophen-2-ylethyl)benzimidazole-4-carboxylic acid.
What is the SMILES notation for 1-(1-thiophen-2-ylethyl)benzimidazole-4-carboxylic acid?
The canonical SMILES for 1-(1-thiophen-2-ylethyl)benzimidazole-4-carboxylic acid is CC(c1cccs1)n1cnc2c(C(=O)O)cccc21.
What is the InChIKey of 1-(1-thiophen-2-ylethyl)benzimidazole-4-carboxylic acid?
The InChIKey is QIBKCTNZDYBELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-9(12-6-3-7-19-12)16-8-15-13-10(14(17)18)4-2-5-11(13)16/h2-9H,1H3,(H,17,18).
What are the key properties of 1-(1-thiophen-2-ylethyl)benzimidazole-4-carboxylic acid?
1-(1-thiophen-2-ylethyl)benzimidazole-4-carboxylic acid has a molecular weight of 272.33 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-thiophen-2-ylethyl)benzimidazole-4-carboxylic acid is sourced from PubChem (CID 115543091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).