1,3-Dihydro-1-(3-((2-hydroxy-3-(1-naphthalenyloxy)propyl)amino)-3-methylbutyl)-2H-benzimidazol-2-one
Basic information
- CAS
78459-19-5- Standard SMILES
CC(C)(CCn1c(=O)[nH]c2ccccc21)NCC(O)COc1cccc2ccccc12- InChIKey
YWRIUGFSIQMHJK-UHFFFAOYSA-N- Molecular formula
- C25H29N3O3
- Average molar mass
- 419.5 g/mol
- Monoisotopic mass
- 419.2208918
Names & identifiers
- Preferred name
- 1,3-Dihydro-1-(3-((2-hydroxy-3-(1-naphthalenyloxy)propyl)amino)-3-methylbutyl)-2H-benzimidazol-2-one
- IUPAC
- 3-[3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-3-methylbutyl]-1H-benzimidazol-2-one
- English name
- Adimolol
- Molecular formula
- C25H29N3O3
- Molecular weight
- 419.52
Names & synonyms
Adimolol78459-19-5B6CJY5K2ST1,3-Dihydro-1-[3-[[2-hydroxy-3-(1-naphthalenyloxy)propyl]amino]-3-methylbutyl]-2H-benzimidazol-2-one1,3-Dihydro-1-(3-((2-hydroxy-3-(1-naphthalenyloxy)propyl)amino)-3-methylbutyl)-2H-benzimidazol-2-oneRefChem:906880Adimolol [INN]3-[3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-3-methylbutyl]-1H-benzimidazol-2-oneAdimololumAdimololum [Latin]UNII-B6CJY5K2STAdimolol (free base)
Show more names
Adimolol free base1,3-Dihydro-1-[3-[[2-hydroxy-3-(1-naphtyloxy)propyl]amino]-3-methylbutyl]-2H-benzimidazol-2-one2H-Benzimidazol-2-one, 1,3-dihydro-1-[3-[[2-hydroxy-3-(1-naphthalenyloxy)propyl]amino]-3-methylbutyl]-
ADIMOLOL [MART.]orb3028155SCHEMBL1254721CHEMBL1742448DTXSID00868480(RS)-2,3-Dihydro-1-(3-(2-hydroxy-3-(naphthyloxy)propylamino)-3-methylbutyl)-1H-2-benzimidazolonHY-106518NS00127073
Database identifiers
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 599
Physicochemical properties
- Density
- 1.205 · 1.205±0.06 g/cm3(Predicted)
- pka
- 12.3 · 12.30±0.30(Predicted)
- FDA UNII
- 6 CJY5K2ST · B6CJY5K2ST
Chemistry & industry
Applications
UsesAdimolol is an antihypertensive agent and a β-adrenoceptor blocker.
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Compound notes
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