Basic information
- CAS
896851-25-5- Standard SMILES
CC(C)(C)n1cnc2cc(NCc3ccccc3O)ccc21- InChIKey
RZQYMWFGBPAGBX-UHFFFAOYSA-N- Molecular formula
- C18H21N3O
- Average molar mass
- 295.4 g/mol
- Monoisotopic mass
- 295.1684623
Names & identifiers
- Preferred name
- 2-[[(1-Tert-butylbenzimidazol-5-yl)amino]methyl]phenol
- IUPAC
- 2-[[(1-tert-butylbenzimidazol-5-yl)amino]methyl]phenol
Names & synonyms
2-{[(1-tert-butyl-1H-benzimidazol-5-yl)amino]methyl}phenol2-[[(1-tert-butylbenzimidazol-5-yl)amino]methyl]phenolChemDiv2_005747896851-25-5MLS001197711CHEMBL1416304DTXSID801333462HMS1385F05HMS2858A16STK860717AKOS001794907IDI1_004462
Show more names
SMR000559821EU-0023425VU0075322-1SR-01000093678SR-01000093678-12-(((1-(tert-butyl)-1H-benzo[d]imidazol-5-yl)amino)methyl)phenol
Database identifiers
- CAS
896851-25-5- PubChem CID
- 769147
- DTXSID
DTXSID801333462- ChEMBL
CHEMBL1416304
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 368
Experimental & physicochemical properties
Solubility34.5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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