(E)-2-(1H-benzimidazol-2-yl)-3-[1-(2-phenoxyethyl)indol-3-yl]prop-2-enenitrile
Formula:C26H20N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(1H-benzimidazol-2-yl)-3-[1-(2-phenoxyethyl)indol-3-yl]prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(1H-benzimidazol-2-yl)-3-[1-(2-phenoxyethyl)indol-3-yl]prop-2-enenitrile |
| MolecularFormula | C26H20N4O |
| Smiles | N#C/C(/c1nc(cccc2)c2[nH]1)=C\c1cn(CCOc2ccccc2)c2c1cccc2 |
| InChI | InChI=1S/C26H20N4O/c27-17-19(26-28-23-11-5-6-12-24(23)29-26)16-20-18-30(25-13-7-4-10-22(20)25)14-15-31-21-8-2-1-3-9-21/h1-13,16,18H,14-15H2,(H,28,29) |
| InChIK | WGZLPQJIYJHCMX-UHFFFAOYSA-N |
| TotalMolweight | 404.472 |
| Molweight | 404.472 |
| MonoisotopicMass | 404.163711 |
| CLogP | 4.2686 |
| CLogS | -4.267 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 323.45 |
| Relative PSA | 0.17125 |
| PolarSurfaceArea | 66.63 |
| Druglikeness | -1.4828 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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