5-Methoxy-2-[[(1-propan-2-ylbenzimidazol-2-yl)amino]methyl]phenol
Basic information
- CAS
692267-91-7- Standard SMILES
COc1ccc(CNc2nc3ccccc3n2C(C)C)c(O)c1- InChIKey
XOUHJHUJCXTFNO-UHFFFAOYSA-N- Molecular formula
- C18H21N3O2
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.16337692
Names & identifiers
- Preferred name
- 5-Methoxy-2-[[(1-propan-2-ylbenzimidazol-2-yl)amino]methyl]phenol
- IUPAC
- 5-methoxy-2-[[(1-propan-2-ylbenzimidazol-2-yl)amino]methyl]phenol
Names & synonyms
692267-91-75-methoxy-2-[[(1-propan-2-ylbenzimidazol-2-yl)amino]methyl]phenol5-methoxy-2-({[1-(propan-2-yl)-1H-benzimidazol-2-yl]amino}methyl)phenol2-(((1-isopropyl-1H-benzo[d]imidazol-2-yl)amino)methyl)-5-methoxyphenolMLS001205588CHEMBL1408233DTXSID101325985HMS2840K192-[(1-Isopropyl-1H-benzoimidazol-2-ylamino)-methyl]-5-methoxy-phenolSTK036640AKOS000505753SMR000523281
Database identifiers
- CAS
692267-91-7- PubChem CID
- 889581
- DTXSID
DTXSID101325985- ChEMBL
CHEMBL1408233
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 379
Experimental & physicochemical properties
Solubility25.7 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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