2-[(E)-2-phenylethenyl]-1-prop-2-ynylbenzimidazole
Formula:C18H14N2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-phenylethenyl]-1-prop-2-ynylbenzimidazole is a drug-like molecule.
| MolName | 2-[(E)-2-phenylethenyl]-1-prop-2-ynylbenzimidazole |
| MolecularFormula | C18H14N2 |
| Smiles | C#CCn1c(cccc2)c2nc1/C=C/c1ccccc1 |
| InChI | InChI=1S/C18H14N2/c1-2-14-20-17-11-7-6-10-16(17)19-18(20)13-12-15-8-4-3-5-9-15/h1,3-13H,14H2 |
| InChIK | GNDSNBZGSONHHG-UHFFFAOYSA-N |
| TotalMolweight | 258.323 |
| Molweight | 258.323 |
| MonoisotopicMass | 258.115698 |
| CLogP | 3.3654 |
| CLogS | -3.239 |
| H Acceptors | 2 |
| TotalSurfaceArea | 219.65 |
| Relative PSA | 0.08122 |
| PolarSurfaceArea | 17.82 |
| Druglikeness | 2.0623 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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