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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC=C(C=C1)C(C2=NC3=CC=CC=C3N2)O |
|---|---|
| IUPAC Name | 1H-benzimidazol-2-yl(phenyl)methanol |
| InChIKey | JEAWPIKEEQZLJQ-UHFFFAOYSA-N |
| INCHI | 1S/C14H12N2O/c17-13(10-6-2-1-3-7-10)14-15-11-8-4-5-9-12(11)16-14/h1-9,13,17H,(H,15,16) |
| Molecular Weight | 224.26 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzimidazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzimidazoles |
| Alternative Parents | Benzene and substituted derivatives Imidazoles Heteroaromatic compounds Secondary alcohols Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Aromatic alcohols |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzimidazole - Monocyclic benzene moiety - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Secondary alcohol - Azacycle - Organopnictogen compound - Aromatic alcohol - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds). |
| External Descriptors | Not available |
| Melt Point(°C) | 206-211° C |
|---|---|
| Molecular Weight | 224.260 g/mol |
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 224.095 Da |
| Monoisotopic Mass | 224.095 Da |
| Topological Polar Surface Area | 48.900 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 253.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |