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

C16H16N2O2S — CID 82773786

IUPAC2-methyl-3-(1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid
SMILESCCC(c1cccs1)n1c(C)nc2ccc(C(=O)O)cc21
InChIInChI=1S/C16H16N2O2S/c1-3-13(15-5-4-8-21-15)18-10(2)17-12-7-6-11(16(19)20)9-14(12)18/h4-9,13H,3H2,1-2H3,(H,19,20)
InChIKeyIFKFBBRVHKNCAQ-UHFFFAOYSA-N
MW300.38 g/mol
LogP4.10
Rot. Bonds4

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

2-methyl-3-(1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid (PubChem CID 82773786) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-methyl-3-(1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-(1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid
PubChem CID82773786
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name2-methyl-3-(1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid
SMILESCCC(c1cccs1)n1c(C)nc2ccc(C(=O)O)cc21
InChIInChI=1S/C16H16N2O2S/c1-3-13(15-5-4-8-21-15)18-10(2)17-12-7-6-11(16(19)20)9-14(12)18/h4-9,13H,3H2,1-2H3,(H,19,20)
InChIKeyIFKFBBRVHKNCAQ-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid
CID 82791387
2-methyl-3-(2-methylpentan-3-yl)benzimidazole-5-carboxylic acid
CID 82790543
2-methyl-1-pentan-3-ylbenzimidazole-5-carboxylic acid
CID 43322906
3-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-methylbenzimidazole-5-carboxylic acid
CID 103112857
1-butan-2-yl-2-[(thiophene-2-carbonylamino)methyl]benzimidazole-5-carboxylic acid
CID 42817358
2-methyl-3-(1-pyridin-2-ylethyl)benzimidazole-5-carboxylic acid
CID 82770584
3-[benzamido(phenyl)methyl]-2-methylbenzimidazole-5-carboxylic acid
CID 18680858
3-(1-methoxy-3-methyl-1-oxobutan-2-yl)-2-methylbenzimidazole-5-carboxylic acid
CID 82774585
2-methyl-3-[(3-methylthiophen-2-yl)methyl]benzimidazole-5-carboxylic acid
CID 82791247
2-methyl-3-pentylbenzimidazole-5-carboxylic acid
CID 82791290
3-pentan-3-yl-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 82790987
3-(2-methyl-1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid
CID 82774459

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 2-methyl-3-(1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid (CID 82773786) is 2-methyl-3-(1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-methyl-3-(1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-methyl-3-(1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid is CCC(c1cccs1)n1c(C)nc2ccc(C(=O)O)cc21.
What is the InChIKey of 2-methyl-3-(1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid?
The InChIKey is IFKFBBRVHKNCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-3-13(15-5-4-8-21-15)18-10(2)17-12-7-6-11(16(19)20)9-14(12)18/h4-9,13H,3H2,1-2H3,(H,19,20).
What are the key properties of 2-methyl-3-(1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid?
2-methyl-3-(1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid has a molecular weight of 300.38 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 82773786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).