3-[3-(4-Methyl-benzo[b]thiophen-3-ylmethyl)-2-oxo-2,3-dihydro-benzimidazol-1-yl]-propionic acid methyl ester
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Basic information
- Standard SMILES
COC(=O)CCn1c(=O)n(Cc2csc3cccc(C)c23)c2ccccc21- InChIKey
OAOJKJQEXSODQK-UHFFFAOYSA-N- Molecular formula
- C21H20N2O3S
- Average molar mass
- 380.5 g/mol
Names & identifiers
- Preferred name
- 3-[3-(4-Methyl-benzo[b]thiophen-3-ylmethyl)-2-oxo-2,3-dihydro-benzimidazol-1-yl]-propionic acid methyl ester
- IUPAC
- methyl 3-[3-[(4-methyl-1-benzothiophen-3-yl)methyl]-2-oxobenzimidazol-1-yl]propanoate
Names & synonyms
SCHEMBL2313619OAOJKJQEXSODQK-UHFFFAOYSA-N3-[3-(4-Methyl-benzo[b]thiophen-3-ylmethyl)-2-oxo-2,3-dihydro-benzimidazol-1-yl]-propionic acid methyl ester
Database identifiers
- PubChem CID
- 59497609
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 572
Related reactions
2 records
Compound notes
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