JMA
Summary
| Name: | 4-(5,6-dichloro-1H-benzimidazol-1-yl)butan-1-ol |
| Formula: | C11 H12 Cl2 N2 O |
| Formal charge: | 0 |
| Formula weight: | 259.132 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(5,6-dichloro-1H-benzimidazol-1-yl)butan-1-ol |
| OpenEye OEToolkits | 2.0.6 | 4-[5,6-bis(chloranyl)benzimidazol-1-yl]butan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c(c(Cl)cc2n(CCCCO)cnc12)Cl |
| InChI | InChI | 1.03 | InChI=1S/C11H12Cl2N2O/c12-8-5-10-11(6-9(8)13)15(7-14-10)3-1-2-4-16/h5-7,16H,1-4H2 |
| InChIKey | InChI | 1.03 | FITCEBBVLDFPRJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCCCn1cnc2cc(Cl)c(Cl)cc12 |
| SMILES | CACTVS | 3.385 | OCCCCn1cnc2cc(Cl)c(Cl)cc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1c2c(cc(c1Cl)Cl)n(cn2)CCCCO |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1c2c(cc(c1Cl)Cl)n(cn2)CCCCO |
