2-[(3aS,7aS)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]naphthalen-1-ol
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Basic information
- Standard SMILES
Oc1c(C2=N[C@H]3CCCC[C@@H]3N2)ccc2ccccc12- InChIKey
QALFKDRUYAMBAW-GJZGRUSLSA-N- Molecular formula
- C17H18N2O
- Average molar mass
- 266.34 g/mol
- Monoisotopic mass
- 266.1419132
Names & identifiers
- Preferred name
- 2-[(3aS,7aS)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]naphthalen-1-ol
- IUPAC
- 2-[(3aS,7aS)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]naphthalen-1-ol
Names & synonyms
NSC700421CHEMBL1977238NSC-700421NCI60_036045
Database identifiers
- PubChem CID
- 395639
- ChEMBL
CHEMBL1977238
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 44.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 394
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Compound notes
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