Basic information
- Standard SMILES
COCCn1c(-c2ccc(C(C)C)cc2)nc2cc(CN)cc(OC)c21- InChIKey
JZZHQGFLOVASQL-UHFFFAOYSA-N- Molecular formula
- C21H27N3O2
- Average molar mass
- 353.5 g/mol
Names & identifiers
- Preferred name
- C-[2-(4-Isopropyl-phenyl)-7-methoxy-1-(2-methoxy-ethyl)-1H-benzoimidazol-5-yl]-methylamine
- IUPAC
- [7-methoxy-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)benzimidazol-5-yl]methanamine
Names & synonyms
SCHEMBL2497105JZZHQGFLOVASQL-UHFFFAOYSA-NC-[2-(4-Isopropyl-phenyl)-7-methoxy-1-(2-methoxy-ethyl)-1H-benzoimidazol-5-yl]-methylamine
Database identifiers
- PubChem CID
- 57772089
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 62.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 425
Related reactions
3 records
Compound notes
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