3-thiophen-3-ylbenzimidazole-4-carboxylic acid

C12H8N2O2S — CID 112577374

IUPAC3-thiophen-3-ylbenzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2ncn(-c3ccsc3)c12
InChIInChI=1S/C12H8N2O2S/c15-12(16)9-2-1-3-10-11(9)14(7-13-10)8-4-5-17-6-8/h1-7H,(H,15,16)
InChIKeyQWRYMSUVDGQINZ-UHFFFAOYSA-N
MW244.28 g/mol
LogP2.79
Rot. Bonds2

About 3-thiophen-3-ylbenzimidazole-4-carboxylic acid

3-thiophen-3-ylbenzimidazole-4-carboxylic acid (PubChem CID 112577374) has the molecular formula C12H8N2O2S and a molecular weight of 244.28 g/mol. Its IUPAC name is 3-thiophen-3-ylbenzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-thiophen-3-ylbenzimidazole-4-carboxylic acid
PubChem CID112577374
Molecular FormulaC12H8N2O2S
Molecular Weight244.28 g/mol
Exact Mass244.03
IUPAC Name3-thiophen-3-ylbenzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2ncn(-c3ccsc3)c12
InChIInChI=1S/C12H8N2O2S/c15-12(16)9-2-1-3-10-11(9)14(7-13-10)8-4-5-17-6-8/h1-7H,(H,15,16)
InChIKeyQWRYMSUVDGQINZ-UHFFFAOYSA-N
XLogP2.79
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chloro-4-methylphenyl)benzimidazole-4-carboxylic acid
CID 115932693
3-(2,6-dibromophenyl)benzimidazole-4-carboxylic acid
CID 107602181
3-(3-bromo-5-methylphenyl)benzimidazole-4-carboxylic acid
CID 107576705
3-(2-iodophenyl)benzimidazole-4-carboxylic acid
CID 112577044
3-(4-methoxy-3-methylphenyl)benzimidazole-4-carboxylic acid
CID 115933110
3-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-4-carboxylic acid
CID 107464232
3-(2,4-dimethylphenyl)benzimidazole-4-carboxylic acid
CID 115932632
3-(4-fluoro-2-iodophenyl)benzimidazole-4-carboxylic acid
CID 115933592
3-(4-methoxy-2-methylphenyl)benzimidazole-4-carboxylic acid
CID 115933322
3-(2-chloro-5-cyanophenyl)benzimidazole-4-carboxylic acid
CID 115933623
3-propylbenzimidazole-4-carboxylic acid
CID 82647147
3-benzylbenzimidazole-4-carboxylic acid
CID 83413316

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-3-ylbenzimidazole-4-carboxylic acid?
The IUPAC name of 3-thiophen-3-ylbenzimidazole-4-carboxylic acid (CID 112577374) is 3-thiophen-3-ylbenzimidazole-4-carboxylic acid.
What is the SMILES notation for 3-thiophen-3-ylbenzimidazole-4-carboxylic acid?
The canonical SMILES for 3-thiophen-3-ylbenzimidazole-4-carboxylic acid is O=C(O)c1cccc2ncn(-c3ccsc3)c12.
What is the InChIKey of 3-thiophen-3-ylbenzimidazole-4-carboxylic acid?
The InChIKey is QWRYMSUVDGQINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2S/c15-12(16)9-2-1-3-10-11(9)14(7-13-10)8-4-5-17-6-8/h1-7H,(H,15,16).
What are the key properties of 3-thiophen-3-ylbenzimidazole-4-carboxylic acid?
3-thiophen-3-ylbenzimidazole-4-carboxylic acid has a molecular weight of 244.28 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-3-ylbenzimidazole-4-carboxylic acid is sourced from PubChem (CID 112577374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).