(E)-2-(1H-benzimidazol-2-yl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enenitrile
Formula:C24H16N6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(1H-benzimidazol-2-yl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(1H-benzimidazol-2-yl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enenitrile |
| MolecularFormula | C24H16N6 |
| Smiles | N#C/C(/c1nc(cccc2)c2[nH]1)=C\c1cn(-c2ccccc2)nc1-c1cnccc1 |
| InChI | InChI=1S/C24H16N6/c25-14-18(24-27-21-10-4-5-11-22(21)28-24)13-19-16-30(20-8-2-1-3-9-20)29-23(19)17-7-6-12-26-15-17/h1-13,15-16H,(H,27,28) |
| InChIK | HUSXDHQJVWFCAD-UHFFFAOYSA-N |
| TotalMolweight | 388.433 |
| Molweight | 388.433 |
| MonoisotopicMass | 388.143644 |
| CLogP | 2.7398 |
| CLogS | -3.842 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 308.61 |
| Relative PSA | 0.21817 |
| PolarSurfaceArea | 83.18 |
| Druglikeness | -1.2199 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 5 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-2-(1H-benzimidazol-2-yl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enenitrile | 2 - (E)-2-(1H-benzimidazol-2-yl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enenitrile
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off