Basic information
- CAS
63388-07-8- Standard SMILES
O=c1[nH]c2ccccc2n1CCCCCl- InChIKey
HLJJJPMNIFNKCI-UHFFFAOYSA-N- Molecular formula
- C11H13ClN2O
- Average molar mass
- 224.68 g/mol
- Monoisotopic mass
- 224.07164072
Names & identifiers
- Preferred name
- 1-(4-chlorobutyl)-1,3-dihydro-2H-benzimidazol-2-one
- IUPAC
- 3-(4-chlorobutyl)-1H-benzimidazol-2-one
Names & synonyms
1-(4-chlorobutyl)-1,3-dihydro-2H-benzimidazol-2-one63388-07-8SCHEMBL2149024DTXSID70538264HLJJJPMNIFNKCI-UHFFFAOYSA-NDB-2156011-(4-Chlorobutyl)-1,3-dihydro-2H-1,3-benzimidazol-2-one
Database identifiers
- CAS
63388-07-8- PubChem CID
- 13360889
- DTXSID
DTXSID70538264
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 235
Related reactions
15 records
Compound notes
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