N-[(E)-[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]benzamide
Formula:C23H16N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[(E)-[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]benzamide is a drug-like molecule.
| MolName | N-[(E)-[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]benzamide |
| MolecularFormula | C23H16N4O2 |
| Smiles | O=C(c1ccccc1)N/N=C1/Oc(cccc2)c2C=C1c1nc(cccc2)c2[nH]1 |
| InChI | InChI=1S/C23H16N4O2/c28-22(15-8-2-1-3-9-15)26-27-23-17(14-16-10-4-7-13-20(16)29-23)21-24-18-11-5-6-12-19(18)25-21/h1-14H,(H,24,25)(H,26,28) |
| InChIK | NKJOFPOGWQEQJE-UHFFFAOYSA-N |
| TotalMolweight | 380.406 |
| Molweight | 380.406 |
| MonoisotopicMass | 380.127326 |
| CLogP | 3.8504 |
| CLogS | -4.603 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 289.1 |
| Relative PSA | 0.24549 |
| PolarSurfaceArea | 79.37 |
| Druglikeness | 3.8389 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(E)-[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]benzamide | 2 - N-[(E)-[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off