1-(1-thiophen-3-ylpropan-2-yl)benzimidazole-5-carboxylic acid

C15H14N2O2S — CID 61477345

IUPAC1-(1-thiophen-3-ylpropan-2-yl)benzimidazole-5-carboxylic acid
SMILESCC(Cc1ccsc1)n1cnc2cc(C(=O)O)ccc21
InChIInChI=1S/C15H14N2O2S/c1-10(6-11-4-5-20-8-11)17-9-16-13-7-12(15(18)19)2-3-14(13)17/h2-5,7-10H,6H2,1H3,(H,18,19)
InChIKeySCLOCUUMCGVYKJ-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.60
Rot. Bonds4

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

1-(1-thiophen-3-ylpropan-2-yl)benzimidazole-5-carboxylic acid (PubChem CID 61477345) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 1-(1-thiophen-3-ylpropan-2-yl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(1-thiophen-3-ylpropan-2-yl)benzimidazole-5-carboxylic acid
PubChem CID61477345
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name1-(1-thiophen-3-ylpropan-2-yl)benzimidazole-5-carboxylic acid
SMILESCC(Cc1ccsc1)n1cnc2cc(C(=O)O)ccc21
InChIInChI=1S/C15H14N2O2S/c1-10(6-11-4-5-20-8-11)17-9-16-13-7-12(15(18)19)2-3-14(13)17/h2-5,7-10H,6H2,1H3,(H,18,19)
InChIKeySCLOCUUMCGVYKJ-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-thiophen-3-ylpropan-2-yl)benzimidazole-5-carboxylic acid?
The IUPAC name of 1-(1-thiophen-3-ylpropan-2-yl)benzimidazole-5-carboxylic acid (CID 61477345) is 1-(1-thiophen-3-ylpropan-2-yl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-(1-thiophen-3-ylpropan-2-yl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-(1-thiophen-3-ylpropan-2-yl)benzimidazole-5-carboxylic acid is CC(Cc1ccsc1)n1cnc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-(1-thiophen-3-ylpropan-2-yl)benzimidazole-5-carboxylic acid?
The InChIKey is SCLOCUUMCGVYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-10(6-11-4-5-20-8-11)17-9-16-13-7-12(15(18)19)2-3-14(13)17/h2-5,7-10H,6H2,1H3,(H,18,19).
What are the key properties of 1-(1-thiophen-3-ylpropan-2-yl)benzimidazole-5-carboxylic acid?
1-(1-thiophen-3-ylpropan-2-yl)benzimidazole-5-carboxylic acid has a molecular weight of 286.36 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-thiophen-3-ylpropan-2-yl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 61477345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).