2-[(E)-2-(furan-2-yl)ethenyl]-1-(naphthalen-1-ylmethyl)benzimidazole
Formula:C24H18N2O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[(E)-2-(furan-2-yl)ethenyl]-1-(naphthalen-1-ylmethyl)benzimidazole is not a drug-like molecule.
| MolName | 2-[(E)-2-(furan-2-yl)ethenyl]-1-(naphthalen-1-ylmethyl)benzimidazole |
| MolecularFormula | C24H18N2O |
| Smiles | C(c1cccc2ccccc12)n1c(cccc2)c2nc1/C=C/c1ccco1 |
| InChI | InChI=1S/C24H18N2O/c1-2-11-21-18(7-1)8-5-9-19(21)17-26-23-13-4-3-12-22(23)25-24(26)15-14-20-10-6-16-27-20/h1-16H,17H2 |
| InChIK | NHDDCDXBZTYQPG-UHFFFAOYSA-N |
| TotalMolweight | 350.42 |
| Molweight | 350.42 |
| MonoisotopicMass | 350.141913 |
| CLogP | 5.2291 |
| CLogS | -4.988 |
| H Acceptors | 3 |
| TotalSurfaceArea | 279.89 |
| Relative PSA | 0.11415 |
| PolarSurfaceArea | 30.96 |
| Druglikeness | 1.8674 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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