2-[[3-[(Z)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]indol-1-yl]methyl]benzonitrile
Formula:C26H18N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[[3-[(Z)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]indol-1-yl]methyl]benzonitrile is a drug-like molecule.
| MolName | 2-[[3-[(Z)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]indol-1-yl]methyl]benzonitrile |
| MolecularFormula | C26H18N4O2 |
| Smiles | N#Cc1c(Cn2c(cccc3)c3c(/C=C(/C(N3c4ccccc4)=O)\NC3=O)c2)cccc1 |
| InChI | InChI=1S/C26H18N4O2/c27-15-18-8-4-5-9-19(18)16-29-17-20(22-12-6-7-13-24(22)29)14-23-25(31)30(26(32)28-23)21-10-2-1-3-11-21/h1-14,17H,16H2,(H,28,32) |
| InChIK | AMFSZPGGJOUPQZ-UHFFFAOYSA-N |
| TotalMolweight | 418.455 |
| Molweight | 418.455 |
| MonoisotopicMass | 418.142976 |
| CLogP | 3.9817 |
| CLogS | -5.97 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 320.52 |
| Relative PSA | 0.19194 |
| PolarSurfaceArea | 78.13 |
| Druglikeness | 0.54773 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[[3-[(Z)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]indol-1-yl]methyl]benzonitrile | 2 - 2-[[3-[(Z)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]indol-1-yl]methyl]benzonitrile
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off