5,6-Dimethylbenzimidazole
PubChem CID: 675
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 5,6-Dimethylbenzimidazole, 582-60-5, 5,6-Dimethyl-1H-benzimidazole, Dimedazol, Dimedazole, 5,6-dimethyl-1H-benzo[d]imidazole, Dimesol, Dimezol, dimethylbenzimidazole, 1H-Benzimidazole, 5,6-dimethyl-, Benzimidazole, 5,6-dimethyl-, 5.6-Dimethylbenzimidazole, NSC 68316, 5,6-dimethyl-1H-1,3-benzodiazole, EINECS 209-488-1, MFCD00005603, BRN 0116595, 5,6-dimethyl-1H-benzoimidazole, CHEBI:15890, AI3-52806, 553XI1DS20, NSC-68316, CHEMBL351132, DTXSID70870631, 5-23-06-00454 (Beilstein Handbook Reference), 5,6-DIMETHYLBENZIMIDAZOLE [MI], DimezolDimedazol, UNII-553XI1DS20, Dimezol base, Dimezol (VAN), dimethylbenzimidazoles, Benzimidazole,6-dimethyl-, 5,6-dimethylbenzoimidazole, bmse000881, SCHEMBL312977, 1H-Benzimidazole,6-dimethyl-, SCHEMBL3893948, CHEBI:23809, DTXCID10818335, HMS1659L03, ALBB-021295, NSC68316, 5,6-Dimethylbenzimidazole, >=99%, BDBM50208872, s3097, STK001228, AKOS000121551, AC-8359, CS-W018227, DB02591, HY-W017511, AS-10901, D1345, NS00015324, EN300-16463, C03114, F17509, AB00375938-02, 5,6-Dimethylbenzimidazole, purum, >=99.0% (NT), Q15269676, Z55928828, F3145-1021, B97E9041-BA87-4952-8BE7-E80B4E480262, InChI=1/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11, 209-488-1 |
|---|---|
| Topological Polar Surface Area | 28.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Pathway Kegg Map Id | map00740 |
| 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). [HMDB] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 146.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P00176, P00185, P47989, n.a. |
| Iupac Name | 5,6-dimethyl-1H-benzimidazole |
| Prediction Hob | 1.0 |
| Class | Benzimidazoles |
| Xlogp | 2.4 |
| Superclass | Organoheterocyclic compounds |
| Molecular Formula | C9H10N2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LJUQGASMPRMWIW-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -2.56 |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Logd | 2.554 |
| Synonyms | 5,6-dimethyl-1H-Benzimidazole, 5,6-Dimethylbenzimidazole, Dimedazol, Dimedazole, Dimesol, Dimezol, Dimezol (VAN), DimezolDimedazol |
| Substituent Name | Nitrotoluene, Benzimidazole, Benzenoid, Heteroaromatic compound, Imidazole, Azole, Azacycle, Hydrocarbon derivative, Organonitrogen compound, Aromatic heteropolycyclic compound |
| Compound Name | 5,6-Dimethylbenzimidazole |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 146.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 146.084 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 146.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7504511454545457 |
| Inchi | InChI=1S/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11) |
| Smiles | CC1=CC2=C(C=C1C)N=CN2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ainsliaea Macrocephala (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Artemisia Macrocephala (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Atractylodes Chinensis (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Atractylodes Japonica (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Atractylodes Macrocephala (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Jurinea Macrocephala (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Lancea Tibetica (Plant) Rel Props:Reference: