Basic information
- Standard SMILES
CCCCn1c(-c2cccc(Oc3ccc(C(C)(C)C)cc3)c2)nc2c(OCCCN(CC)CC)cc(OCCCN(CC)CC)cc21- InChIKey
MCQKTHYAZUQUGX-UHFFFAOYSA-N- Molecular formula
- C41H60N4O3
- Average molar mass
- 656.9 g/mol
Names & identifiers
- Preferred name
- {3-[1-Butyl-2-[3-(4-tert-butyl-phenoxy)-phenyl]-6-(3-diethylaminopropoxy)-1H-benzimidazole-4-yloxy]-propyl}diethyl-amine
- IUPAC
- 3-[3-butyl-2-[3-(4-tert-butylphenoxy)phenyl]-7-[3-(diethylamino)propoxy]benzimidazol-5-yl]oxy-N,N-diethylpropan-1-amine
Names & synonyms
SCHEMBL1283736MCQKTHYAZUQUGX-UHFFFAOYSA-N{3-[1-Butyl-2-[3-(4-tert-butyl-phenoxy)-phenyl]-6-(3-diethylaminopropoxy)-1H-benzimidazole-4-yloxy]-propyl}diethyl-amine
Database identifiers
- PubChem CID
- 59699062
Properties
Computed structural properties
- XLogP
- 9.7
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 21
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 853
Related reactions
3 records
Compound notes
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