3-[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]indol-1-yl]propanamide
Formula:C21H17N5O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]indol-1-yl]propanamide is a drug-like molecule.
| MolName | 3-[3-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]indol-1-yl]propanamide |
| MolecularFormula | C21H17N5O |
| Smiles | NC(CCn1c(cccc2)c2c(/C=C(/c2nc(cccc3)c3[nH]2)\C#N)c1)=O |
| InChI | InChI=1S/C21H17N5O/c22-12-14(21-24-17-6-2-3-7-18(17)25-21)11-15-13-26(10-9-20(23)27)19-8-4-1-5-16(15)19/h1-8,11,13H,9-10H2,(H2,23,27)(H,24,25) |
| InChIK | YRTJVMYIEHXCEW-UHFFFAOYSA-N |
| TotalMolweight | 355.4 |
| Molweight | 355.4 |
| MonoisotopicMass | 355.14331 |
| CLogP | 2.0302 |
| CLogS | -3.138 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 279.96 |
| Relative PSA | 0.26325 |
| PolarSurfaceArea | 100.49 |
| Druglikeness | -1.0601 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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