2-[(E)-2-(furan-2-yl)ethenyl]-3H-benzimidazol-5-amine
Formula:C13H11N3O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[(E)-2-(furan-2-yl)ethenyl]-3H-benzimidazol-5-amine is a drug-like molecule.
| MolName | 2-[(E)-2-(furan-2-yl)ethenyl]-3H-benzimidazol-5-amine |
| MolecularFormula | C13H11N3O |
| Smiles | Nc(cc1)cc2c1nc(/C=C/c1ccco1)[nH]2 |
| InChI | InChI=1S/C13H11N3O/c14-9-3-5-11-12(8-9)16-13(15-11)6-4-10-2-1-7-17-10/h1-8H,14H2,(H,15,16) |
| InChIK | VBTVSQJXJARTTR-UHFFFAOYSA-N |
| TotalMolweight | 225.25 |
| Molweight | 225.25 |
| MonoisotopicMass | 225.090212 |
| CLogP | 1.8671 |
| CLogS | -3.005 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 180.66 |
| Relative PSA | 0.30079 |
| PolarSurfaceArea | 67.84 |
| Druglikeness | 0.2265 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(E)-2-(furan-2-yl)ethenyl]-3H-benzimidazol-5-amine | 2 - 2-[(E)-2-(furan-2-yl)ethenyl]-3H-benzimidazol-5-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off