4-Bromo-2-{[(1-methyl-1H-benzimidazol-2-YL)amino]methyl}phenol
Basic information
- CAS
383902-28-1- Standard SMILES
Cn1c(NCc2cc(Br)ccc2O)nc2ccccc21- InChIKey
SWQBUISJAVRRGD-UHFFFAOYSA-N- Molecular formula
- C15H14BrN3O
- Average molar mass
- 332.19 g/mol
- Monoisotopic mass
- 331.03202
Names & identifiers
- Preferred name
- 4-Bromo-2-{[(1-methyl-1H-benzimidazol-2-YL)amino]methyl}phenol
- IUPAC
- 4-bromo-2-[[(1-methylbenzimidazol-2-yl)amino]methyl]phenol
- English name
- CHEMBRDG-BB 6498188
- Molecular formula
- C15H14BrN3O
- Molecular weight
- 332.2
Names & synonyms
383902-28-14-BROMO-2-{[(1-METHYL-1H-BENZIMIDAZOL-2-YL)AMINO]METHYL}PHENOL4-Bromo-2-(((1-methyl-1H-benzo[d]imidazol-2-yl)amino)methyl)phenolMFCD014646604-bromo-2-[[(1-methylbenzimidazol-2-yl)amino]methyl]phenolSMR000106448MLS0001105194-Bromo-2-(((1-methyl-1,3-dihydro-2H-benzo[d]imidazol-2-ylidene)amino)methyl)phenol4-Bromo-2-([(1-methyl-1h-benzimidazol-2-yl)amino]methyl)phenolHMS2363K21CBKinase1_000394CBKinase1_012794
Show more names
CHEMBRDG-BB 6498188Phenol, 4-bromo-2-[[(1-methyl-1H-benzimidazol-2-yl)amino]methyl]-4-bromo-2-{[(1-methyl-1H-benzimidazol-2-yl)amino]methyl}phenol(SALTDATA: FREE)
Cambridge id 6498188cid_715151CHEMBL1490845BDBM47712DTXSID70351955AKOS001651599BS-37689DB-205734
Database identifiers
- CAS
383902-28-1- PubChem CID
- 715151
- DTXSID
DTXSID70351955- ChEMBL
CHEMBL1490845- Nikkaji
- J3.142.854H
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 330
Physicochemical properties
- Boiling point
- 518.5 · 518.5±60.0 °C(Predicted)
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- pka
- 9.2 · 9.20±0.43(Predicted)
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Compound notes
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