Basic information
- Standard SMILES
CCOc1ccc(-n2c(C(C)NC(=O)OC(C)(C)C)nc3ccccc32)cc1- InChIKey
WQNGQFVIIXTNGY-UHFFFAOYSA-N- Molecular formula
- C22H27N3O3
- Average molar mass
- 381.5 g/mol
Names & identifiers
- Preferred name
- {1-[1-(4-Ethoxy-phenyl)-1H-benzoimidazol-2-yl]-ethyl}-carbamic Acid Tert-Butyl Ester
- IUPAC
- tert-butyl N-[1-[1-(4-ethoxyphenyl)benzimidazol-2-yl]ethyl]carbamate
Names & synonyms
SCHEMBL5184619WQNGQFVIIXTNGY-UHFFFAOYSA-N{1-[1-(4-Ethoxy-phenyl)-1H-benzoimidazol-2-yl]-ethyl}-carbamic Acid Tert-Butyl Ester
Database identifiers
- PubChem CID
- 23401405
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 65.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 514
Related reactions
4 records
Compound notes
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