N-(1H-benzimidazol-2-yl)-2-methylsulfanylbenzamide
Basic information
- CAS
851720-55-3- Standard SMILES
CSc1ccccc1C(=O)Nc1nc2ccccc2[nH]1- InChIKey
AOVZQWCSEYKCLO-UHFFFAOYSA-N- Molecular formula
- C15H13N3OS
- Average molar mass
- 283.4 g/mol
- Monoisotopic mass
- 283.07793322
Names & identifiers
- Preferred name
- N-(1H-benzimidazol-2-yl)-2-methylsulfanylbenzamide
- IUPAC
- N-(1H-benzimidazol-2-yl)-2-methylsulfanylbenzamide
Names & synonyms
N-(1H-benzimidazol-2-yl)-2-methylsulfanylbenzamideMLS000772451CHEMBL1420307DTXSID901326494HMS2716A20AKOS008916894851720-55-3SMR000377104N-(1H-Benzimidazol-2-yl)-2-(methylsulfanyl)benzamideZ27665122
Database identifiers
- CAS
851720-55-3- PubChem CID
- 2473752
- DTXSID
DTXSID901326494- ChEMBL
CHEMBL1420307
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 352
Experimental & physicochemical properties
Solubility3.1 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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