2-[[4-[(Z)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-bromophenoxy]methyl]benzonitrile
Formula:C24H15N4OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[[4-[(Z)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-bromophenoxy]methyl]benzonitrile is a drug-like molecule.
| MolName | 2-[[4-[(Z)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-bromophenoxy]methyl]benzonitrile |
| MolecularFormula | C24H15N4OBr |
| Smiles | N#C/C(/c1nc(cccc2)c2[nH]1)=C/c(cc1)cc(Br)c1OCc(cccc1)c1C#N |
| InChI | InChI=1S/C24H15BrN4O/c25-20-12-16(9-10-23(20)30-15-18-6-2-1-5-17(18)13-26)11-19(14-27)24-28-21-7-3-4-8-22(21)29-24/h1-12H,15H2,(H,28,29) |
| InChIK | LELINJTZLITRKP-UHFFFAOYSA-N |
| TotalMolweight | 455.314 |
| Molweight | 455.314 |
| MonoisotopicMass | 454.042922 |
| CLogP | 4.7306 |
| CLogS | -6.072 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 326.23 |
| Relative PSA | 0.1903 |
| PolarSurfaceArea | 85.49 |
| Druglikeness | -5.8085 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[[4-[(Z)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-bromophenoxy]methyl]benzonitrile | 2 - 2-[[4-[(Z)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-bromophenoxy]methyl]benzonitrile
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