Basic information
- Standard SMILES
N#Cc1ccc(C(CCO)n2ccnc2)cc1- InChIKey
XHPQVBXZNHYMTB-UHFFFAOYSA-N- Molecular formula
- C13H13N3O
- Average molar mass
- 227.26 g/mol
Names & identifiers
- Preferred name
- 4-(3-Hydroxy-1-imidazol-1-yl-propyl)-benzonitrile
- IUPAC
- 4-(3-hydroxy-1-imidazol-1-ylpropyl)benzonitrile
Names & synonyms
1431767-36-0SCHEMBL8156789XHPQVBXZNHYMTB-UHFFFAOYSA-NDA-103504-(3-Hydroxy-1-imidazol-1-yl-propyl)-benzonitrile
Database identifiers
- PubChem CID
- 18779690
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 278
Related reactions
4 records
Compound notes
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