1-[(Z)-(2-fluorophenyl)methylideneamino]benzimidazol-2-amine
Formula:C14H11N4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(Z)-(2-fluorophenyl)methylideneamino]benzimidazol-2-amine is a drug-like molecule.
| MolName | 1-[(Z)-(2-fluorophenyl)methylideneamino]benzimidazol-2-amine |
| MolecularFormula | C14H11N4F |
| Smiles | Nc1nc(cccc2)c2n1/N=C\c(cccc1)c1F |
| InChI | InChI=1S/C14H11FN4/c15-11-6-2-1-5-10(11)9-17-19-13-8-4-3-7-12(13)18-14(19)16/h1-9H,(H2,16,18) |
| InChIK | XPPPPGRBCUZFRM-UHFFFAOYSA-N |
| TotalMolweight | 254.267 |
| Molweight | 254.267 |
| MonoisotopicMass | 254.096774 |
| CLogP | 2.851 |
| CLogS | -6.232 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 195.21 |
| Relative PSA | 0.22857 |
| PolarSurfaceArea | 56.2 |
| Druglikeness | 2.0125 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 1-[(Z)-(2-fluorophenyl)methylideneamino]benzimidazol-2-amine | 2 - 1-[(Z)-(2-fluorophenyl)methylideneamino]benzimidazol-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off