N93
Summary
| Name: | 5-chloro-N-(2-{[(3,5-dichlorophenyl)methyl]amino}ethyl)-N-methyl-3H-imidazo[4,5-b]pyridin-2-amine |
| Formula: | C16 H16 Cl3 N5 |
| Formal charge: | 0 |
| Formula weight: | 384.691 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~1~-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N~2~-[(3,5-dichlorophenyl)methyl]-N~1~-methylethane-1,2-diamine |
| OpenEye OEToolkits | 2.0.4 | ~{N}-[[3,5-bis(chloranyl)phenyl]methyl]-~{N}'-(5-chloranyl-1~{H}-imidazo[4,5-b]pyridin-2-yl)-~{N}'-methyl-ethane-1,2-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1ccc2c(n1)nc(n2)N(C)CCNCc3cc(cc(c3)Cl)Cl |
| InChI | InChI | 1.03 | InChI=1S/C16H16Cl3N5/c1-24(16-21-13-2-3-14(19)22-15(13)23-16)5-4-20-9-10-6-11(17)8-12(18)7-10/h2-3,6-8,20H,4-5,9H2,1H3,(H,21,22,23) |
| InChIKey | InChI | 1.03 | RQBUPIVTKWJGSG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(CCNCc1cc(Cl)cc(Cl)c1)c2[nH]c3ccc(Cl)nc3n2 |
| SMILES | CACTVS | 3.385 | CN(CCNCc1cc(Cl)cc(Cl)c1)c2[nH]c3ccc(Cl)nc3n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CN(CCNCc1cc(cc(c1)Cl)Cl)c2[nH]c3ccc(nc3n2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.4 | CN(CCNCc1cc(cc(c1)Cl)Cl)c2[nH]c3ccc(nc3n2)Cl |
