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

C16H16N2O2S — CID 82774459

IUPAC3-(2-methyl-1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid
SMILESCC(C)C(c1cccs1)n1cnc2ccc(C(=O)O)cc21
InChIInChI=1S/C16H16N2O2S/c1-10(2)15(14-4-3-7-21-14)18-9-17-12-6-5-11(16(19)20)8-13(12)18/h3-10,15H,1-2H3,(H,19,20)
InChIKeyWLGNKAQJMONJMB-UHFFFAOYSA-N
MW300.38 g/mol
LogP4.04
Rot. Bonds4

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

3-(2-methyl-1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid (PubChem CID 82774459) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-(2-methyl-1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-methyl-1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid
PubChem CID82774459
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name3-(2-methyl-1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid
SMILESCC(C)C(c1cccs1)n1cnc2ccc(C(=O)O)cc21
InChIInChI=1S/C16H16N2O2S/c1-10(2)15(14-4-3-7-21-14)18-9-17-12-6-5-11(16(19)20)8-13(12)18/h3-10,15H,1-2H3,(H,19,20)
InChIKeyWLGNKAQJMONJMB-UHFFFAOYSA-N
XLogP4.04
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid
CID 82791387
3-(1-hydroxy-3-methylbutan-2-yl)benzimidazole-5-carboxylic acid
CID 82790795
1-(benzimidazol-1-yl)-1-thiophen-2-ylpropan-2-amine
CID 55021920
3-(3-ethylpentan-2-yl)benzimidazole-5-carboxylic acid
CID 82791090
3-[1-(furan-2-yl)ethyl]benzimidazole-5-carboxylic acid
CID 82790460
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzimidazole-5-carboxylic acid
CID 82773890
4-iodo-1-(2-methyl-1-thiophen-2-ylpropyl)pyrrole-2-carboxylic acid
CID 114604547
3-(1-pyrazol-1-ylpropan-2-yl)benzimidazole-5-carboxylic acid
CID 82791147
2-methyl-3-(1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid
CID 82773786
3-(3-methyl-2-propan-2-ylbutyl)benzimidazole-5-carboxylic acid
CID 102907252
3-(1-morpholin-4-ylpropan-2-yl)benzimidazole-5-carboxylic acid
CID 82773676
(2R)-2-(benzimidazol-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]propanamide
CID 39059871

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 3-(2-methyl-1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid (CID 82774459) is 3-(2-methyl-1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-methyl-1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 3-(2-methyl-1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid is CC(C)C(c1cccs1)n1cnc2ccc(C(=O)O)cc21.
What is the InChIKey of 3-(2-methyl-1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid?
The InChIKey is WLGNKAQJMONJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-10(2)15(14-4-3-7-21-14)18-9-17-12-6-5-11(16(19)20)8-13(12)18/h3-10,15H,1-2H3,(H,19,20).
What are the key properties of 3-(2-methyl-1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid?
3-(2-methyl-1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid has a molecular weight of 300.38 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 82774459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).