| Canonical Smiles | COC1=CC2=C(C=C1)NC(=O)N2 |
|---|---|
| IUPAC Name | 5-methoxy-1,3-dihydrobenzimidazol-2-one |
| InChIKey | AUPLVAKFTYFHTA-UHFFFAOYSA-N |
| INCHI | 1S/C8H8N2O2/c1-12-5-2-3-6-7(4-5)10-8(11)9-6/h2-4H,1H3,(H2,9,10,11) |
| Isomeric SMILES | COC1=CC2=C(C=C1)NC(=O)N2 |
| Molecular Weight | 164.16 |
| Beilstein | 141043 |
| Reaxy-Rn | 141043 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=141043&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
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 | Anisoles Alkyl aryl ethers Imidazoles Heteroaromatic compounds Ureas Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzimidazole - Anisole - Alkyl aryl ether - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Urea - Ether - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 I2423306 | Certificate of Analysis | Aug 20, 2024 | H340401 |
| I2423307 | Certificate of Analysis | Aug 20, 2024 | H340401 |
| I2423308 | Certificate of Analysis | Aug 20, 2024 | H340401 |
| I2423309 | Certificate of Analysis | Aug 20, 2024 | H340401 |
| I2423310 | Certificate of Analysis | Aug 20, 2024 | H340401 |
| Solubility | Soluble in Acetone, DMSO, Ethanol, Methanol and Hot Water |
|---|---|
| Melt Point(°C) | 255 (dec.) |
| Molecular Weight | 164.160 g/mol |
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 164.059 Da |
| Monoisotopic Mass | 164.059 Da |
| Topological Polar Surface Area | 50.400 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 195.000 |
| 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 |
