EV3
Summary
| Name: | 3-(2-amino-5-chloro-1H-benzimidazol-1-yl)propan-1-ol |
| Formula: | C10 H12 Cl N3 O |
| Formal charge: | 0 |
| Formula weight: | 225.675 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(2-amino-5-chloro-1H-benzimidazol-1-yl)propan-1-ol |
| OpenEye OEToolkits | 1.7.0 | 3-(2-azanyl-5-chloro-benzimidazol-1-yl)propan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cc2nc(N)n(c2cc1)CCCO |
| SMILES_CANONICAL | CACTVS | 3.370 | Nc1nc2cc(Cl)ccc2n1CCCO |
| SMILES | CACTVS | 3.370 | Nc1nc2cc(Cl)ccc2n1CCCO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc2c(cc1Cl)nc(n2CCCO)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc2c(cc1Cl)nc(n2CCCO)N |
| InChI | InChI | 1.03 | InChI=1S/C10H12ClN3O/c11-7-2-3-9-8(6-7)13-10(12)14(9)4-1-5-15/h2-3,6,15H,1,4-5H2,(H2,12,13) |
| InChIKey | InChI | 1.03 | NSMVCZCLMLZSOB-UHFFFAOYSA-N |
