(E)-2-(1H-benzimidazol-2-yl)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enenitrile
Formula:C25H17N5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(1H-benzimidazol-2-yl)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(1H-benzimidazol-2-yl)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enenitrile |
| MolecularFormula | C25H17N5 |
| Smiles | N#C/C(/c1nc(cccc2)c2[nH]1)=C\c1cn(-c2ccccc2)nc1-c1ccccc1 |
| InChI | InChI=1S/C25H17N5/c26-16-19(25-27-22-13-7-8-14-23(22)28-25)15-20-17-30(21-11-5-2-6-12-21)29-24(20)18-9-3-1-4-10-18/h1-15,17H,(H,27,28) |
| InChIK | OCFNABARNURAIJ-UHFFFAOYSA-N |
| TotalMolweight | 387.445 |
| Molweight | 387.445 |
| MonoisotopicMass | 387.148395 |
| CLogP | 3.7407 |
| CLogS | -4.637 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 309.85 |
| Relative PSA | 0.18189 |
| PolarSurfaceArea | 70.29 |
| Druglikeness | -1.2199 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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