Basic information
- Standard SMILES
C#CCOCC(N)c1nc2cc(Cl)ccc2[nH]1- InChIKey
KAUJFFBBVZKYEM-UHFFFAOYSA-N- Molecular formula
- C12H12ClN3O
- Average molar mass
- 249.69 g/mol
- Monoisotopic mass
- 249.0668897
Names & identifiers
- Preferred name
- 1-(6-chloro-1H-benzimidazol-2-yl)-2-prop-2-ynoxyethanamine
- IUPAC
- 1-(6-chloro-1H-benzimidazol-2-yl)-2-prop-2-ynoxyethanamine
Names & synonyms
SCHEMBL6529465
Database identifiers
- PubChem CID
- 88005494
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 63.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 303
Related reactions
1 records
Compound notes
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