1-(2-bromoprop-2-enyl)-2-[(E)-2-phenylethenyl]benzimidazole
Formula:C18H15N2Br
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
1-(2-bromoprop-2-enyl)-2-[(E)-2-phenylethenyl]benzimidazole is a drug-like molecule.
| MolName | 1-(2-bromoprop-2-enyl)-2-[(E)-2-phenylethenyl]benzimidazole |
| MolecularFormula | C18H15N2Br |
| Smiles | C=C(Cn1c(cccc2)c2nc1/C=C/c1ccccc1)Br |
| InChI | InChI=1S/C18H15BrN2/c1-14(19)13-21-17-10-6-5-9-16(17)20-18(21)12-11-15-7-3-2-4-8-15/h2-12H,1,13H2 |
| InChIK | AVNXNCCFTIEKEW-UHFFFAOYSA-N |
| TotalMolweight | 339.235 |
| Molweight | 339.235 |
| MonoisotopicMass | 338.041859 |
| CLogP | 4.606 |
| CLogS | -3.957 |
| H Acceptors | 2 |
| TotalSurfaceArea | 237.22 |
| Relative PSA | 0.075204 |
| PolarSurfaceArea | 17.82 |
| Druglikeness | -4.4 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| 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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1 - 1-(2-bromoprop-2-enyl)-2-[(E)-2-phenylethenyl]benzimidazole | 2 - 1-(2-bromoprop-2-enyl)-2-[(E)-2-phenylethenyl]benzimidazole
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