Showing Metabocard for 5,6-dimethylbenzimidazole (BASm0000453)
| Common Name | 5,6-dimethylbenzimidazole | ||||
|---|---|---|---|---|---|
| Description | Dimethylbenzimidazole is an intermediate in Riboflavin metabolism. Dimethylbenzimidazole is the second to last step for the synthesis of alpha-Ribazole. It is converted from Riboflavin then it is converted to N1-(5-Phospho-alpha-D-ribosyl)-5,6-dimethylbenzimidazole via the enzyme nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase (EC 2.4.2.21). | ||||
| Structure | |||||
| Molecular Formula | C9H10N2 | ||||
| Average Mass | 146.18910 | ||||
| Monoisotopic Mass | 146.08440 | ||||
| IUPAC Name | 5,6-dimethyl-1H-1,3-benzodiazole | ||||
| Traditional Name | 5,6-dimethylbenzimidazole | ||||
| CAS Registry Number | 582-60-5 | ||||
| SMILES | Cc1cc2nc[nH]c2cc1C | ||||
| InChI Identifier | InChI=1S/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11) | ||||
| InChI Key | LJUQGASMPRMWIW-UHFFFAOYSA-N | ||||
| CHEBI ID | CHEBI:15890 | ||||
| HMDB ID | HMDB0003701 | ||||
| Pathways |
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| State | Not Available | ||||
| Water Solubility | 2.08e+00 g/l | ||||
| logP | 1.88 | ||||
| logS | -1.85 | ||||
| pKa (Strongest Acidic) | 12.73 | ||||
| pKa (Strongest Basic) | 6.43 | ||||
| Hydrogen Acceptor Count | 1 | ||||
| Hydrogen Donor Count | 1 | ||||
| Polar Surface Area | 28.68 Ų | ||||
| Rotatable Bond Count | 0 | ||||
| Physiological Charge | 0 | ||||
| Formal Charge | 0 | ||||
| Refractivity | 45.05 m³·mol⁻¹ | ||||
| Polarizability | 16.47 |