| MolName | 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[(Z)-2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethenyl]-1H-indol-3-amine |
| MolecularFormula | C24H22N6O |
| Smiles | Nc1c(/C=C\c2cc(cc(cc3)C4=NCCN4)c3o2)[nH]c2c1ccc(C1=NCCN1)c2 |
| InChI | InChI=1S/C24H22N6O/c25-22-18-4-1-15(24-28-9-10-29-24)13-20(18)30-19(22)5-3-17-12-16-11-14(2-6-21(16)31-17)23-26-7-8-27-23/h1-6,11-13,30H,7-10,25H2,(H,26,27)(H,28,29) |
| InChIK | UPLQHBHGZYJTMH-UHFFFAOYSA-N |
| TotalMolweight | 410.48 |
| Molweight | 410.48 |
| MonoisotopicMass | 410.185509 |
| CLogP | 2.5301 |
| CLogS | -5.974 |
| H Acceptors | 7 |
| H Donors | 4 |
| TotalSurfaceArea | 313.4 |
| Relative PSA | 0.28497 |
| PolarSurfaceArea | 103.73 |
| Druglikeness | 3.5702 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[(Z)-2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethenyl]-1H-indol-3-amine | 2 - 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[(Z)-2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethenyl]-1H-indol-3-amine