Basic information
- Standard SMILES
CCC(CC)c1ccc(Cl)c2[nH]c(=O)n(C)c12- InChIKey
IKZNXRQKHKMAEM-UHFFFAOYSA-N- Molecular formula
- C13H17ClN2O
- Average molar mass
- 252.74 g/mol
Names & identifiers
- Preferred name
- 4-Chloro-7-(1-ethylpropyl)-1-methyl-1,3-dihydro-2H-benzimidazol-2-one
- IUPAC
- 7-chloro-3-methyl-4-pentan-3-yl-1H-benzimidazol-2-one
Names & synonyms
SCHEMBL2084414IKZNXRQKHKMAEM-UHFFFAOYSA-N4-Chloro-7-(1-ethylpropyl)-1-methyl-1,3-dihydro-2H-benzimidazol-2-one
Database identifiers
- PubChem CID
- 67272467
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 293
Related reactions
4 records
Compound notes
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