Basic information
- Standard SMILES
Cc1cc2ncn(CCCO)c2cc1C- InChIKey
IQWCHIBIWUBMFE-UHFFFAOYSA-N- Molecular formula
- C12H16N2O
- Average molar mass
- 204.27 g/mol
- Monoisotopic mass
- 204.12626314
Names & identifiers
- Preferred name
- 1-(3-Hydroxypropyl)-5,6-dimethylbenzimidazole
- IUPAC
- 3-(5,6-dimethylbenzimidazol-1-yl)propan-1-ol
Names & synonyms
SCHEMBL9128979IQWCHIBIWUBMFE-UHFFFAOYSA-NAKOS0090764311-(3-hydroxypropyl)-5,6-dimethylbenzimidazole
Database identifiers
- PubChem CID
- 20078960
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 210
Related reactions
3 records
Compound notes
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