| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 11 | Yes |
Popular Name: (1H-Benzimidazol-2-ylmethyl)amine (1H-Benzimidazol-2-ylmethyl)amine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1155659-33-8 , 5805-57-2 , 5993-91-9 , 7757-21-3 , [5805-57-2] , [5993-91-9] , [7757-21-3]
(1H-benzimidazol-2-ylmethyl)amine dihydrochloride
(1H-benzimidazol-2-ylmethyl)amine dihydrochloride hydrate
(1H-Benzo[d]imidazol-2-yl)methanamine
(1H-Benzo[d]imidazol-2-yl)methanamine DiHCl
(1H-Benzo[d]imidazol-2-yl)methanamine dihydrochloride
(1H-Benzo[d]imidazol-2-yl)methanamine dihydrochloride hydrate
(1H-Benzo[d]imidazol-2-yl)methanamine hydrochloride
(1H-Benzo[d]imidazol-2-yl)methanaminedihydrochloride
(1H-Benzo[d]imidazol-2-yl)methanaminehydrochloride
1-(1H-benzimidazol-2-yl)methanamine
1-(1H-Benzimidazol-2-yl)methanamine hydrochloride
1H-1,3-Benzimidazol-2-ylmethanamine dihydrochloride
1H-1,3-benzodiazol-2-ylmethanamine
1H-1,3-benzodiazol-2-ylmethanamine dihydrochloride
1H-benzimidazol-2-ylmethanamine hydrochloride
1H-Benzimidazol-2-ylmethylamine
1H-benzimidazol-2-ylmethylamine dihydrochloride
1H-Benzimidazole-2-methanamine (9CI)
1H-benzimidazole-2-methanamine, dihydrochloride
2-(Aminomethyl)benzimidazole dihydrochloride
2-(Aminomethyl)benzimidazole dihydrochloride hydrate
2-(Aminomethyl)benzimidazole dihydrochloride hydrate, 98%
2-(Aminomethyl)benzimidazole hydrate dihydrochloride
BENZOIMIDAZOLYLMETHANAMINEDIHYDROCHLORID
C-(1H-Benzoimidazol-2-yl)-methylamine
| 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) | 0.72 | 1.27 | -49.96 | 4 | 3 | 1 | 56 | 148.189 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 264 - 266 | Enamine Building Blocks |
| MP | 264...266 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Melting_Point | ca 264? dec. | Alfa-Aesar |
| Melting_Point | ca 264° dec. | Alfa-Aesar |
| Warnings | IRRITANT | Matrix Scientific |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50677-3-O | Human Immunodeficiency Virus (cluster #3 Of 3), Other | Other | 1000 | 0.76 | Functional ≤ 10μM |
| Z80156-9-O | HL-60 (Promyeloblast Leukemia Cells) (cluster #9 Of 12), Other | Other | 0 | 0.00 | Functional ≤ 10μM |
| Z80186-10-O | K562 (Erythroleukemia Cells) (cluster #10 Of 11), Other | Other | 0 | 0.00 | Functional ≤ 10μM |
| Z80466-4-O | SF268 (cluster #4 Of 4), Other | Other | 0 | 0.00 | Functional ≤ 10μM |
| Z80485-5-O | SK-MEL-28 (Melanoma Cells) (cluster #5 Of 6), Other | Other | 0 | 0.00 | Functional ≤ 10μM |
| Z80493-6-O | SK-OV-3 (Ovarian Carcinoma Cells) (cluster #6 Of 6), Other | Other | 0 | 0.00 | Functional ≤ 10μM |
| Z81024-8-O | NCI-H460 (Non-small Cell Lung Carcinoma) (cluster #8 Of 8), Other | Other | 0 | 0.00 | Functional ≤ 10μM |
| Z81115-3-O | KB (Squamous Cell Carcinoma) (cluster #3 Of 6), Other | Other | 0 | 0.00 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80156 | Z80156 | HL-60 (Promyeloblast Leukemia Cells) | 0.1 | 1.27 | Functional ≤ 10μM |
| Z50677 | Z50677 | Human Immunodeficiency Virus | 1000 | 0.76 | Functional ≤ 10μM |
| Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 0.1 | 1.27 | Functional ≤ 10μM |
| Z81115 | Z81115 | KB (Squamous Cell Carcinoma) | 0.1 | 1.27 | Functional ≤ 10μM |
| Z81024 | Z81024 | NCI-H460 (Non-small Cell Lung Carcinoma) | 0.1 | 1.27 | Functional ≤ 10μM |
| Z80466 | Z80466 | SF268 | 0.1 | 1.27 | Functional ≤ 10μM |
| Z80485 | Z80485 | SK-MEL-28 (Melanoma Cells) | 0.1 | 1.27 | Functional ≤ 10μM |
| Z80493 | Z80493 | SK-OV-3 (Ovarian Carcinoma Cells) | 0.1 | 1.27 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.