| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 10th, 2008 | 10 | Yes |
Popular Name: 2-Aminobenzimidazole 2-Aminobenzimidazole
Find On: PubMed — Wikipedia — Google
CAS Numbers: 162938-41-2 , 934-32-7 , [934-32-7]
1-Methyl-1H-benzo[d]imidazol-2-amine
2-Aminobenzimidazole; 934-32-7; C10901
2-Iminobenzimidazoline; Benzimidazol-2-ylamine
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.23 | 4.15 | -27.68 | 4 | 3 | 1 | 56 | 134.162 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 226 - 230 | MolMall (formerly Molecular Diversity Preservation International) |
| MP | 227 - 231 | Enamine Building Blocks |
| MP | 227...231 | Enamine Building Blocks |
| Mp [°C] | 228 - 232 | Acros Organics |
| Melting_Point | 228-232? | Alfa-Aesar |
| Melting_Point | 228-232° | Alfa-Aesar |
| MP | 231 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0120589A1; US4621084 | IBM Patent Data |
| PUBCHEM_PATENT_ID | EP0279381A2; EP0340928A2; EP0340928B1; EP0380517B1; EP0461182B1; EP0563281B1; EP0623159B1; EP0643736B1; EP0849744B1; US3984605; US4662905; US4983455; US4983485; US5069820; US5160457; US5171478; US5225495; US5227092; US5254633; US5266617; US5278213; US5378 | IBM Patent Data |
| Patent Database Links | EP1422218; US2004083560; US2005222197 | ChEBI |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S22: Do not breathe dust. | Acros Organics |
| S phrase | S22: Do not breathe dust.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. | Acros Organics |
| PUBCHEM_PATENT_ID | US4200641; US4377578; WO1992002491A1 | IBM Patent Data |
| PUBCHEM_PATENT_ID | US5068325; US6114390; WO2000076970A2; WO2000076971A2 | IBM Patent Data |
| Hazard | XN: Harmful | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50422-3-O | Entamoeba Histolytica (cluster #3 Of 5), Other | Other | 114 | 0.97 | Functional ≤ 10μM |
| Z50468-2-O | Giardia Intestinalis (cluster #2 Of 4), Other | Other | 1902 | 0.80 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50422 | Z50422 | Entamoeba Histolytica | 114 | 0.97 | Functional ≤ 10μM |
| Z50468 | Z50468 | Giardia Intestinalis | 1902 | 0.80 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.