2-[[3-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]indol-1-yl]methyl]benzonitrile
Formula:C26H17N4O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[[3-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]indol-1-yl]methyl]benzonitrile is a drug-like molecule.
| MolName | 2-[[3-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]indol-1-yl]methyl]benzonitrile |
| MolecularFormula | C26H17N4O2Cl |
| Smiles | N#Cc1c(Cn2c(cccc3)c3c(/C=C(\C(N3c(cc4)ccc4Cl)=O)/NC3=O)c2)cccc1 |
| InChI | InChI=1S/C26H17ClN4O2/c27-20-9-11-21(12-10-20)31-25(32)23(29-26(31)33)13-19-16-30(24-8-4-3-7-22(19)24)15-18-6-2-1-5-17(18)14-28/h1-13,16H,15H2,(H,29,33) |
| InChIK | MWJXWHVIGFPUNW-UHFFFAOYSA-N |
| TotalMolweight | 452.9 |
| Molweight | 452.9 |
| MonoisotopicMass | 452.104003 |
| CLogP | 4.5877 |
| CLogS | -6.706 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 335.94 |
| Relative PSA | 0.18313 |
| PolarSurfaceArea | 78.13 |
| Druglikeness | 0.59333 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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 |
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1 - 2-[[3-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]indol-1-yl]methyl]benzonitrile | 2 - 2-[[3-[(E)-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl]indol-1-yl]methyl]benzonitrile
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