QTS
Summary
| Name: | 1-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine |
| Formula: | C14 H12 Cl N3 |
| Formal charge: | 0 |
| Formula weight: | 257.718 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine |
| OpenEye OEToolkits | 2.0.7 | 1-[(4-chlorophenyl)methyl]benzimidazol-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n3c1c(cccc1)n(Cc2ccc(cc2)Cl)c3N |
| InChI | InChI | 1.03 | InChI=1S/C14H12ClN3/c15-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)17-14(18)16/h1-8H,9H2,(H2,16,17) |
| InChIKey | InChI | 1.03 | HKBJSDNECZUKSR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc2ccccc2n1Cc3ccc(Cl)cc3 |
| SMILES | CACTVS | 3.385 | Nc1nc2ccccc2n1Cc3ccc(Cl)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)nc(n2Cc3ccc(cc3)Cl)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)nc(n2Cc3ccc(cc3)Cl)N |
