2-[(E)-2-(4-chlorophenyl)ethenyl]-1,3-dipyridin-2-ylbenzimidazol-3-ium
Formula:C25H18N4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(4-chlorophenyl)ethenyl]-1,3-dipyridin-2-ylbenzimidazol-3-ium is not a drug-like molecule.
| MolName | 2-[(E)-2-(4-chlorophenyl)ethenyl]-1,3-dipyridin-2-ylbenzimidazol-3-ium |
| MolecularFormula | C25H18N4Cl |
| Smiles | Clc1ccc(/C=C/c(n(c2c3cccc2)-c2ncccc2)[n+]3-c2ncccc2)cc1 |
| InChI | InChI=1S/C25H18ClN4/c26-20-14-11-19(12-15-20)13-16-25-29(23-9-3-5-17-27-23)21-7-1-2-8-22(21)30(25)24-10-4-6-18-28-24/h1-18H/q+1 |
| InChIK | HTYLMYKKYCBRHU-UHFFFAOYSA-N |
| TotalMolweight | 409.899 |
| Molweight | 409.899 |
| MonoisotopicMass | 409.121998 |
| CLogP | 6.9636 |
| CLogS | -7.201 |
| H Acceptors | 4 |
| TotalSurfaceArea | 313.08 |
| Relative PSA | 0.10084 |
| PolarSurfaceArea | 34.59 |
| Druglikeness | 0.16243 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | tert. immonium |
| Shape Index | 0.43333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(E)-2-(4-chlorophenyl)ethenyl]-1,3-dipyridin-2-ylbenzimidazol-3-ium | 2 - 2-[(E)-2-(4-chlorophenyl)ethenyl]-1,3-dipyridin-2-ylbenzimidazol-3-ium
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off