(Z)-2-(1H-benzimidazol-2-yl)-3-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenyl]prop-2-enenitrile
Formula:C26H16N6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-2-(1H-benzimidazol-2-yl)-3-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenyl]prop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-2-(1H-benzimidazol-2-yl)-3-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenyl]prop-2-enenitrile |
| MolecularFormula | C26H16N6 |
| Smiles | N#C/C(/c1nc(cccc2)c2[nH]1)=C/c1ccc(/C=C(/c2nc(cccc3)c3[nH]2)\C#N)cc1 |
| InChI | InChI=1S/C26H16N6/c27-15-19(25-29-21-5-1-2-6-22(21)30-25)13-17-9-11-18(12-10-17)14-20(16-28)26-31-23-7-3-4-8-24(23)32-26/h1-14H,(H,29,30)(H,31,32) |
| InChIK | IYWOQQBSPLVJHT-UHFFFAOYSA-N |
| TotalMolweight | 412.455 |
| Molweight | 412.455 |
| MonoisotopicMass | 412.143644 |
| CLogP | 3.9838 |
| CLogS | -4.632 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 331.48 |
| Relative PSA | 0.23241 |
| PolarSurfaceArea | 104.94 |
| Druglikeness | -3.8125 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - (Z)-2-(1H-benzimidazol-2-yl)-3-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenyl]prop-2-enenitrile | 2 - (Z)-2-(1H-benzimidazol-2-yl)-3-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]phenyl]prop-2-enenitrile
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