Basic information
- CAS
5925-94-0- Standard SMILES
CCc1cc(C)cc(OCC(O)Cn2cnc3cc(C)c(C)cc32)c1- InChIKey
APANHJUKHGWSMG-UHFFFAOYSA-N- Molecular formula
- C21H26N2O2
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.19942808
Names & identifiers
- Preferred name
- 1-(5,6-Dimethyl-1H-benzimidazol-1-yl)-3-(3-ethyl-5-methylphenoxy)propan-2-ol
- IUPAC
- 1-(5,6-dimethylbenzimidazol-1-yl)-3-(3-ethyl-5-methylphenoxy)propan-2-ol
Names & synonyms
DTXSID903869261-(5,6-Dimethyl-1H-benzimidazol-1-yl)-3-(3-ethyl-5-methylphenoxy)propan-2-olRefChem:225619DTXCID403379485925-94-0Oprea1_344908Oprea1_4627341-(5,6-dimethylbenzimidazol-1-yl)-3-(3-ethyl-5-methylphenoxy)propan-2-olAKOS000646957ST4066195ST50251466SR-01000463478
Show more names
SR-01000463478-11-(5,6-dimethylbenzimidazolyl)-3-(5-ethyl-3-methylphenoxy)propan-2-ol1-(5,6-DIMETHYL-1,3-BENZODIAZOL-1-YL)-3-(3-ETHYL-5-METHYLPHENOXY)PROPAN-2-OL1-(5,6-Dimethyl-1H-1,3-benzimidazol-1-yl)-3-(3-ethyl-5-methylphenoxy)propan-2-ol1-(5,6-dimethyl-1H-benzimidazol-1-yl)-3-(3-ethyl-5-methylphenoxy)-2-propanol
Database identifiers
- CAS
5925-94-0- PubChem CID
- 2876751
- DTXSID
DTXSID90386926
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 419
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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