2-[(E)-2-(3-aminophenyl)ethenyl]-3H-benzimidazol-5-amine
Formula:C15H14N4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[(E)-2-(3-aminophenyl)ethenyl]-3H-benzimidazol-5-amine is a drug-like molecule.
| MolName | 2-[(E)-2-(3-aminophenyl)ethenyl]-3H-benzimidazol-5-amine |
| MolecularFormula | C15H14N4 |
| Smiles | Nc(cc1)cc2c1nc(/C=C/c1cc(N)ccc1)[nH]2 |
| InChI | InChI=1S/C15H14N4/c16-11-3-1-2-10(8-11)4-7-15-18-13-6-5-12(17)9-14(13)19-15/h1-9H,16-17H2,(H,18,19) |
| InChIK | HZWLXRMTHYWEJL-UHFFFAOYSA-N |
| TotalMolweight | 250.304 |
| Molweight | 250.304 |
| MonoisotopicMass | 250.121846 |
| CLogP | 2.0011 |
| CLogS | -3.399 |
| H Acceptors | 4 |
| H Donors | 3 |
| TotalSurfaceArea | 199.49 |
| Relative PSA | 0.27821 |
| PolarSurfaceArea | 80.72 |
| Druglikeness | 0.012656 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Amines | 2 |
| Aromatic Amines | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(E)-2-(3-aminophenyl)ethenyl]-3H-benzimidazol-5-amine | 2 - 2-[(E)-2-(3-aminophenyl)ethenyl]-3H-benzimidazol-5-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off