1H-Benzimidazole-5-methanol, 2-amino-alpha-phenyl-
Basic information
- CAS
75501-05-2- Standard SMILES
Nc1nc2ccc(C(O)c3ccccc3)cc2[nH]1- InChIKey
IUOONJFBASBHAA-UHFFFAOYSA-N- Molecular formula
- C14H13N3O
- Average molar mass
- 239.27 g/mol
- Monoisotopic mass
- 239.10586205
Names & identifiers
- Preferred name
- 1H-Benzimidazole-5-methanol, 2-amino-alpha-phenyl-
- IUPAC
- (2-amino-3H-benzimidazol-5-yl)-phenylmethanol
- English name
- 2-AMino-5(6)-[α-hydroxybenzyl]benziMidazole
- Molecular formula
- C14H13N3O
- Molecular weight
- 239.27
Names & synonyms
75501-05-21H-Benzimidazole-5-methanol, 2-amino-alpha-phenyl-(2-amino-3H-benzimidazol-5-yl)-phenylmethanolXGV749SA822-AMINO-5(6)-[ALPHA-HYDROXYBENZYL]BENZIMIDAZOLE(2-Amino-1H-benzo[d]imidazol-6-yl)(phenyl)methanolN-[(1S,2R)-3-[(3S,4aS,8aS)-3-[[(1,1-Dimethylethyl)amino]carbonyl]octahydro-2(1H)-isoquinolinyl]-2-hydroxy-1-(phenylmethyl)propyl]-carbamic Acid 1,1-Dimethylethyl Ester; [3S-[2(1R*,2S*),3?,4a?,8a?]]-3-[3-[[(1,1-Dimethylethyl)amino]carbonyl]octahydro-2(1H)-isoquinolinyl]-2-hydroxy-1-(phenylmethyl)propyl]-carbamic Acid 1,1-Dimethylethyl EsterUNII-XGV749SA82DTXSID609969702-Amino-alpha-phenyl-1H-benzimidazole-6-methanol1H-Benzimidazole-6-methanol, 2-amino-alpha-phenyl-(2-Imino-2,3-dihydro-1H-benzimidazol-5-yl)(phenyl)methanol
Show more names
Mebendazole Impurity 52-Amino-5(6)-[α-hydroxybenzyl]benzimidazole2-AMino-α-phenyl-1H-benziMidazole-6-Methanol2-AMino-α-phenyl-1H-benziMidazole-5-Methanol1H-Benzimidazole-6-methanol, 2-amino-α-phenyl-2-Amino-5(6)-[α-hydroxybenzyl]benzimidazole, CAS 75501-05-2
(2-Imino-2,3-dihydro-1H-1,3-benzimidazol-5-yl)(phenyl)methanol
Database identifiers
- CAS
75501-05-2- PubChem CID
- 156347
- DTXSID
DTXSID60996970- UNII
- XGV749SA82
- Nikkaji
- J2.560.876C
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 280
Physicochemical properties
- Melting point
- 160 °C · 160 °C(Solv: acetone (67-64-1))
- Boiling point
- 526 · 526.0±42.0 °C(Predicted)
- Density
- 1.367 · 1.367±0.06 g/cm3(Predicted)
- pka
- 11.14 · 11.14±0.10(Predicted)
- FDA UNII
- 749 SA82 · XGV749SA82
Chemistry & industry
Applications
UsesThe major urinary metabolite of Mebendazole (M200500) in man.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…