Basic information
- Standard SMILES
CS(=O)(=O)O.O=c1[nH]c2ccccc2n1CCCO- InChIKey
ZELXVUVWXATHED-UHFFFAOYSA-N- Molecular formula
- C11H16N2O5S
- Average molar mass
- 288.32 g/mol
Names & identifiers
- Preferred name
- 1,3-dihydro-1-(3-hydroxypropyl)-2H-benzimidazol-2-one methanesulfonate
- IUPAC
- 3-(3-hydroxypropyl)-1H-benzimidazol-2-one;methanesulfonic acid
Names & synonyms
SCHEMBL11195242ZELXVUVWXATHED-UHFFFAOYSA-N1,3-dihydro-1-(3-hydroxypropyl)-2H-benzimidazol-2-one methanesulfonate1,3-dihydro-1-(3-hydroxypropyl)-2H-benzimidazol-2-one methansulfonate
Database identifiers
- PubChem CID
- 86735360
Properties
Computed structural properties
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 313
Related reactions
15 records
Compound notes
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