2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclobutane-1-carboxylic acid

C13H14N2O2S — CID 80997558

IUPAC2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclobutane-1-carboxylic acid
SMILESCc1ccc2nc(SC3CCC3C(=O)O)[nH]c2c1
InChIInChI=1S/C13H14N2O2S/c1-7-2-4-9-10(6-7)15-13(14-9)18-11-5-3-8(11)12(16)17/h2,4,6,8,11H,3,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyFTKABCVGIPNNCA-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.83
Rot. Bonds3

About 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclobutane-1-carboxylic acid

2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclobutane-1-carboxylic acid (PubChem CID 80997558) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclobutane-1-carboxylic acid
PubChem CID80997558
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclobutane-1-carboxylic acid
SMILESCc1ccc2nc(SC3CCC3C(=O)O)[nH]c2c1
InChIInChI=1S/C13H14N2O2S/c1-7-2-4-9-10(6-7)15-13(14-9)18-11-5-3-8(11)12(16)17/h2,4,6,8,11H,3,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyFTKABCVGIPNNCA-UHFFFAOYSA-N
XLogP2.83
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclobutane-1-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

(2-Benzimidazolylthio)-acetic acid
CID 137805
2-(1H-Benzimidazol-2-ylsulfanyl)propanoic acid
CID 591299
N-butyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2433271
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-pentan-2-ylacetamide
CID 4809882
6-methyl-2-(oxan-2-ylmethylsulfanyl)-1H-benzimidazole
CID 4964219
2-(6-Benzoyl-1H-benzoimidazol-2-ylsulfanyl)-propionic acid
CID 6498473
Acetamide, 2-(1H-benzimidazol-2-ylthio)-N-(4-methylphenyl)-
CID 207451
4-(1H-Benzoimidazol-2-ylsulfanyl)-butyric acid
CID 2384387
2-(5,6-Dimethyl-1H-benzoimidazol-2-ylsulfanyl)-propionic acid
CID 650588
4-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methylphenyl)butanamide
CID 2092674
4-(1H-benzimidazol-2-ylsulfanyl)-N-(3-methylphenyl)butanamide
CID 2094910
methyl 2-[(5-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]acetate
CID 2523169

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclobutane-1-carboxylic acid (CID 80997558) is 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclobutane-1-carboxylic acid is Cc1ccc2nc(SC3CCC3C(=O)O)[nH]c2c1.
What is the InChIKey of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclobutane-1-carboxylic acid?
The InChIKey is FTKABCVGIPNNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-7-2-4-9-10(6-7)15-13(14-9)18-11-5-3-8(11)12(16)17/h2,4,6,8,11H,3,5H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclobutane-1-carboxylic acid?
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclobutane-1-carboxylic acid has a molecular weight of 262.33 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 80997558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).