4-(6-thiophen-2-yl-1H-benzimidazol-2-yl)butanoic acid

C15H14N2O2S — CID 162023239

IUPAC4-(6-thiophen-2-yl-1H-benzimidazol-2-yl)butanoic acid
SMILESO=C(O)CCCc1nc2ccc(-c3cccs3)cc2[nH]1
InChIInChI=1S/C15H14N2O2S/c18-15(19)5-1-4-14-16-11-7-6-10(9-12(11)17-14)13-3-2-8-20-13/h2-3,6-9H,1,4-5H2,(H,16,17)(H,18,19)
InChIKeyXMTDGOMJRMSHIM-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.70
Rot. Bonds5

About 4-(6-thiophen-2-yl-1H-benzimidazol-2-yl)butanoic acid

4-(6-thiophen-2-yl-1H-benzimidazol-2-yl)butanoic acid (PubChem CID 162023239) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 4-(6-thiophen-2-yl-1H-benzimidazol-2-yl)butanoic acid.

Molecular Properties

Compound Name4-(6-thiophen-2-yl-1H-benzimidazol-2-yl)butanoic acid
PubChem CID162023239
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name4-(6-thiophen-2-yl-1H-benzimidazol-2-yl)butanoic acid
SMILESO=C(O)CCCc1nc2ccc(-c3cccs3)cc2[nH]1
InChIInChI=1S/C15H14N2O2S/c18-15(19)5-1-4-14-16-11-7-6-10(9-12(11)17-14)13-3-2-8-20-13/h2-3,6-9H,1,4-5H2,(H,16,17)(H,18,19)
InChIKeyXMTDGOMJRMSHIM-UHFFFAOYSA-N
XLogP3.70
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(6-bromo-1H-benzimidazol-2-yl)pentanoic acid
CID 54920063
4-(6-ethyl-1H-benzimidazol-2-yl)butanoic acid
CID 80502897
5-(6-hydroxy-1H-benzimidazol-2-yl)pentanoic acid
CID 81431385
4-(6-nitro-1H-benzimidazol-2-yl)butanoic acid
CID 1093223
4-(5,6-dichloro-1H-benzimidazol-2-yl)butanoic acid
CID 82001975
2-(3-thiophen-2-ylpropyl)-3H-benzimidazol-5-ol
CID 81432482
5-(5,6-difluoro-1H-benzimidazol-2-yl)pentanoic acid
CID 43470849
5-(5,6-dichloro-1H-benzimidazol-2-yl)pentanoic acid
CID 82001351
2-(3,3-dimethylbutyl)-3H-benzimidazole-5-carboxylic acid
CID 11288070
2-butyl-6-(2-butyl-3H-benzimidazol-5-yl)-1H-benzimidazole
CID 101449351
2-pentadecyl-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 158269764
3-(6-ethyl-1H-benzimidazol-2-yl)propanoic acid
CID 79017254

Frequently Asked Questions

What is the IUPAC name of 4-(6-thiophen-2-yl-1H-benzimidazol-2-yl)butanoic acid?
The IUPAC name of 4-(6-thiophen-2-yl-1H-benzimidazol-2-yl)butanoic acid (CID 162023239) is 4-(6-thiophen-2-yl-1H-benzimidazol-2-yl)butanoic acid.
What is the SMILES notation for 4-(6-thiophen-2-yl-1H-benzimidazol-2-yl)butanoic acid?
The canonical SMILES for 4-(6-thiophen-2-yl-1H-benzimidazol-2-yl)butanoic acid is O=C(O)CCCc1nc2ccc(-c3cccs3)cc2[nH]1.
What is the InChIKey of 4-(6-thiophen-2-yl-1H-benzimidazol-2-yl)butanoic acid?
The InChIKey is XMTDGOMJRMSHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c18-15(19)5-1-4-14-16-11-7-6-10(9-12(11)17-14)13-3-2-8-20-13/h2-3,6-9H,1,4-5H2,(H,16,17)(H,18,19).
What are the key properties of 4-(6-thiophen-2-yl-1H-benzimidazol-2-yl)butanoic acid?
4-(6-thiophen-2-yl-1H-benzimidazol-2-yl)butanoic acid has a molecular weight of 286.36 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-thiophen-2-yl-1H-benzimidazol-2-yl)butanoic acid is sourced from PubChem (CID 162023239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).