Som 1122
Basic information
- CAS
73865-18-6- Standard SMILES
CC(C)(CCn1cnc2ccccc21)NCC(O)c1ccc(O)cc1F- InChIKey
KOTMQCNDGLTIHR-UHFFFAOYSA-N- Molecular formula
- C20H24FN3O2
- Average molar mass
- 357.4 g/mol
- Monoisotopic mass
- 357.18525518
Names & identifiers
- Preferred name
- Som 1122
- IUPAC
- 4-[2-[[4-(benzimidazol-1-yl)-2-methylbutan-2-yl]amino]-1-hydroxyethyl]-3-fluorophenol
Names & synonyms
Som 1122SOM-1122Benzenemethanol, alpha-(((3-(1H-benzimidazol-1-yl)-1,1-dimethylpropyl)amino)methyl)-2-fluoro-4-hydroxy-RefChem:164839Nardeterol73865-18-6Nardeterol [INN]4-[2-[[4-(benzimidazol-1-yl)-2-methylbutan-2-yl]amino]-1-hydroxyethyl]-3-fluorophenol70859437W3Nardeterolum(((3-(1-benzimidazoyl)-1,1-dimethylpropyl)amino)methyl)-2-fluor-4-hydroxybenzylolNardeterolum [INN-Latin]
Show more names
UNII-70859437W3SCHEMBL155438orb1980195CHEMBL2105150SCHEMBL29798793NS00122920T68114Q27265847
Database identifiers
- CAS
73865-18-6- PubChem CID
- 68918
- ChEMBL
CHEMBL2105150- UNII
- 70859437W3
- Nikkaji
- J227.992D
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 70.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 451
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Related reactions
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Compound notes
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