| Canonical Smiles | C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)N |
|---|---|
| IUPAC Name | 2-phenyl-3H-benzimidazol-5-amine |
| InChIKey | NEWWXWMKZVSLFT-UHFFFAOYSA-N |
| INCHI | 1S/C13H11N3/c14-10-6-7-11-12(8-10)16-13(15-11)9-4-2-1-3-5-9/h1-8H,14H2,(H,15,16) |
| Isomeric SMILES | C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)N |
| PubChem CID | 348694 |
| Molecular Weight | 209.252 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzimidazoles |
| Subclass | Phenylbenzimidazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylbenzimidazoles |
| Alternative Parents | Phenylimidazoles Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Primary amines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylbenzimidazole - 2-phenylimidazole - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety where its imidazole ring is attached to a phenyl group. |
| External Descriptors | Not available |
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| Molecular Weight | 209.250 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 209.095 Da |
| Monoisotopic Mass | 209.095 Da |
| Topological Polar Surface Area | 54.700 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 237.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![2-Phenyl-1H-benzo[d]imidazol-5-amine - ≥97% CAS No(1767-25-5) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/P/6/P697508.jpg)