3-(1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid

C15H14N2O2S — CID 82791387

IUPAC3-(1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid
SMILESCCC(c1cccs1)n1cnc2ccc(C(=O)O)cc21
InChIInChI=1S/C15H14N2O2S/c1-2-12(14-4-3-7-20-14)17-9-16-11-6-5-10(15(18)19)8-13(11)17/h3-9,12H,2H2,1H3,(H,18,19)
InChIKeyIHVWWTYQAALWMI-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.80
Rot. Bonds4

About 3-(1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid

3-(1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid (PubChem CID 82791387) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 3-(1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid
PubChem CID82791387
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name3-(1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid
SMILESCCC(c1cccs1)n1cnc2ccc(C(=O)O)cc21
InChIInChI=1S/C15H14N2O2S/c1-2-12(14-4-3-7-20-14)17-9-16-11-6-5-10(15(18)19)8-13(11)17/h3-9,12H,2H2,1H3,(H,18,19)
InChIKeyIHVWWTYQAALWMI-UHFFFAOYSA-N
XLogP3.80
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 3-(1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid (CID 82791387) is 3-(1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 3-(1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 3-(1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid is CCC(c1cccs1)n1cnc2ccc(C(=O)O)cc21.
What is the InChIKey of 3-(1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid?
The InChIKey is IHVWWTYQAALWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-2-12(14-4-3-7-20-14)17-9-16-11-6-5-10(15(18)19)8-13(11)17/h3-9,12H,2H2,1H3,(H,18,19).
What are the key properties of 3-(1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid?
3-(1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid has a molecular weight of 286.36 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 82791387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).