1-[(2-fluorophenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole
Formula:C22H17N2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(2-fluorophenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole is a drug-like molecule.
| MolName | 1-[(2-fluorophenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole |
| MolecularFormula | C22H17N2F |
| Smiles | Fc1c(Cn2c(cccc3)c3nc2/C=C/c2ccccc2)cccc1 |
| InChI | InChI=1S/C22H17FN2/c23-19-11-5-4-10-18(19)16-25-21-13-7-6-12-20(21)24-22(25)15-14-17-8-2-1-3-9-17/h1-15H,16H2 |
| InChIK | HCPHTMZFRXAGFE-UHFFFAOYSA-N |
| TotalMolweight | 328.389 |
| Molweight | 328.389 |
| MonoisotopicMass | 328.137576 |
| CLogP | 4.9468 |
| CLogS | -4.014 |
| H Acceptors | 2 |
| TotalSurfaceArea | 261.95 |
| Relative PSA | 0.068105 |
| PolarSurfaceArea | 17.82 |
| Druglikeness | 0.7 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 1-[(2-fluorophenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole | 2 - 1-[(2-fluorophenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole
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