(E)-2-(1H-benzimidazol-2-yl)-3-(3,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
Formula:C22H16N4OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(1H-benzimidazol-2-yl)-3-(3,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-(1H-benzimidazol-2-yl)-3-(3,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide |
| MolecularFormula | C22H16N4OCl2 |
| Smiles | O=C(/C(/c1nc(cccc2)c2[nH]1)=C/c(cc1)cc(Cl)c1Cl)NCc1ncccc1 |
| InChI | InChI=1S/C22H16Cl2N4O/c23-17-9-8-14(12-18(17)24)11-16(21-27-19-6-1-2-7-20(19)28-21)22(29)26-13-15-5-3-4-10-25-15/h1-12H,13H2,(H,26,29)(H,27,28) |
| InChIK | BNEIEAWEKJNCIU-UHFFFAOYSA-N |
| TotalMolweight | 423.302 |
| Molweight | 423.302 |
| MonoisotopicMass | 422.070115 |
| CLogP | 3.9367 |
| CLogS | -4.467 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 312.99 |
| Relative PSA | 0.19307 |
| PolarSurfaceArea | 70.67 |
| Druglikeness | 3.3625 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-2-(1H-benzimidazol-2-yl)-3-(3,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide | 2 - (E)-2-(1H-benzimidazol-2-yl)-3-(3,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off