2H-Benzimidazol-2-one, 4-((2S)-3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-1,3-dihydro-
Basic information
- CAS
95840-76-9- Standard SMILES
CC(C)(C)NC[C@H](O)COc1cccc2[nH]c(=O)[nH]c12- InChIKey
UMQUQWCJKFOUGV-VIFPVBQESA-N- Molecular formula
- C14H21N3O3
- Average molar mass
- 279.33 g/mol
- Monoisotopic mass
- 279.15829154
Names & identifiers
- Preferred name
- 2H-Benzimidazol-2-one, 4-((2S)-3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-1,3-dihydro-
- IUPAC
- 4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one
Names & synonyms
Z7YP8B158Q(S)-(-)-CGP-12177UNII-Z7YP8B158QCGP-12177, (S)-CHEMBL36060(-)-CGP 12177[3H](-)CGP 1217795840-76-92H-Benzimidazol-2-one, 4-((2S)-3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-1,3-dihydro-Tocris-1134Lopac-C-1254-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one
Show more names
GTPL531SCHEMBL12329633BDBM50098668[3H](-)CGP12177NCGC00015184-01NCGC00015184-02NCGC00015184-06NCGC00025024-01
Database identifiers
- CAS
95840-76-9- PubChem CID
- 6603756
- ChEMBL
CHEMBL36060- UNII
- Z7YP8B158Q
- Nikkaji
- J430.587F
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 82.6 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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