Benznidazole
PubChem CID: 31593
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | BENZNIDAZOLE, 22994-85-0, Benznidazol, Radanil, Benzonidazole, benzonidazol, Benznidazolum, Rochagan, 1H-Imidazole-1-acetamide, 2-nitro-N-(phenylmethyl)-, N-benzyl-2-(2-nitroimidazol-1-yl)acetamide, Ro 07-1051, N-Benzyl-2-nitroimidazole-1-acetamide, N-benzyl-2-(2-nitro-1H-imidazol-1-yl)acetamide, 2-Nitro-N-(phenylmethyl)-1H-imidazole-1-acetamide, N-Benzyl-2-nitroimidazol-1-yl-acetamide, Imidazole-1-acetamide, N-benzyl-2-nitro-, N-Benzyl-2-nitro-1H-imidazole-1-acetamide, Ro 71051, CCRIS 2200, NSC 299972, UNII-YC42NRJ1ZD, YC42NRJ1ZD, Benznidazol [INN-Spanish], Benznidazolum [INN-Latin], NSC-299972, Ro-7-1051, BRN 0551486, DTXSID9046570, Acetamide, N-benzyl-2-(nitroimidazol-1-yl)-, NSC299972, CHEMBL110, DTXCID7026570, RO-07-1051, CHEBI:133833, MMV688773, NCGC00166238-01, Ro 07-1051, Ro 71051, Benznidazol (Ro 07-1051, Ro 71051), Benznidazol (INN-Spanish), Benznidazolum (INN-Latin), BENZNIDAZOLE (MART.), BENZNIDAZOLE [MART.], Benznidazole [INN], SMR000857153, CAS-22994-85-0, SR-01000841264, N-benzyl-2-nitro-1-imidazoleacetamide, Ragonil, benznidazole (TN), Rochagan (TN), Radanil (TN), MFCD00243089, Benznidazole (Standard), BENZNIDAZOLE [MI], Benznidazole (USAN/INN), Benznidazole [USAN:INN], BENZNIDAZOLE [USAN], SCHEMBL45081, MLS001332409, MLS001332410, MLS001360496, BENZNIDAZOLE [WHO-DD], BENZNIDAZOLE [WHO-IP], SCHEMBL22493029, HY-B1548R, P01CA02, BENZNIDAZOLE [ORANGE BOOK], HMS2233G13, HMS3369C11, HY-B1548, Tox21_112364, BDBM50089916, BENZNIDAZOLUM [WHO-IP LATIN], s3741, AKOS015916722, AKOS024283499, Tox21_112364_1, CCG-267054, DB11989, FB64954, NCGC00166238-02, AS-68694, DB-371366, CS-0013411, NS00068191, C74184, D02489, N-Benzyl-2-(2-nitro-imidazol-1-yl)-acetamide, EN300-1716737, N-benzyl-2-(2-nitro-1Himidazol-1-yl)acetamide, N-benzyl-2-(2-nitro-1H-imidazol-5-yl)acetamide, N-Benzyl-2-nitro-1H-imidazole-1-acetamide, 97%, Q425300, SR-01000841264-3, SR-01000841264-4, 1H-Imidazole-1-acetamide,2-Nitro-n-(phenylmethyl)-, BRD-K56156805-001-05-4, BRD-K56156805-001-09-6, 1H-Imidazole-1-acetamide, 2-nitro-N-(phenylmethyl)- [, Z2044771577, N-Benzyl-2-(2-nitro-imidazol-1-yl)-acetamide (Benznidazole) |
|---|---|
| Topological Polar Surface Area | 92.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 325.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-benzyl-2-(2-nitroimidazol-1-yl)acetamide |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Target Id | NPT110, NPT109 |
| Xlogp | 0.9 |
| Is Pains | False |
| Molecular Formula | C12H12N4O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CULUWZNBISUWAS-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Rotatable Bond Count | 4.0 |
| Compound Name | Benznidazole |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 260.091 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 260.091 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 260.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.4591896526315784 |
| Inchi | InChI=1S/C12H12N4O3/c17-11(14-8-10-4-2-1-3-5-10)9-15-7-6-13-12(15)16(18)19/h1-7H,8-9H2,(H,14,17) |
| Smiles | C1=CC=C(C=C1)CNC(=O)CN2C=CN=C2[N+](=O)[O-] |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chamaemelum Nobile (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Salvia Hydrangea (Plant) Rel Props:Source_db:cmaup_ingredients