09T
Summary
| Name: | 1-(3,4-dichlorobenzyl)-5,6-dimethyl-1H-benzimidazole |
| Formula: | C16 H14 Cl2 N2 |
| Formal charge: | 0 |
| Formula weight: | 305.202 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(3,4-dichlorobenzyl)-5,6-dimethyl-1H-benzimidazole |
| OpenEye OEToolkits | 1.7.2 | 1-[(3,4-dichlorophenyl)methyl]-5,6-dimethyl-benzimidazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1ccc(cc1Cl)Cn2c3cc(c(cc3nc2)C)C |
| InChI | InChI | 1.03 | InChI=1S/C16H14Cl2N2/c1-10-5-15-16(6-11(10)2)20(9-19-15)8-12-3-4-13(17)14(18)7-12/h3-7,9H,8H2,1-2H3 |
| InChIKey | InChI | 1.03 | PCJBTWVYIQBUCM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1cc2ncn(Cc3ccc(Cl)c(Cl)c3)c2cc1C |
| SMILES | CACTVS | 3.370 | Cc1cc2ncn(Cc3ccc(Cl)c(Cl)c3)c2cc1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | Cc1cc2c(cc1C)n(cn2)Cc3ccc(c(c3)Cl)Cl |
| SMILES | OpenEye OEToolkits | 1.7.2 | Cc1cc2c(cc1C)n(cn2)Cc3ccc(c(c3)Cl)Cl |
