1-[(4-chlorophenyl)methyl]-2-[(E)-2-(furan-2-yl)ethenyl]benzimidazole
Formula:C20H15N2OCl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
1-[(4-chlorophenyl)methyl]-2-[(E)-2-(furan-2-yl)ethenyl]benzimidazole is a drug-like molecule.
| MolName | 1-[(4-chlorophenyl)methyl]-2-[(E)-2-(furan-2-yl)ethenyl]benzimidazole |
| MolecularFormula | C20H15N2OCl |
| Smiles | Clc1ccc(Cn2c(cccc3)c3nc2/C=C/c2ccco2)cc1 |
| InChI | InChI=1S/C20H15ClN2O/c21-16-9-7-15(8-10-16)14-23-19-6-2-1-5-18(19)22-20(23)12-11-17-4-3-13-24-17/h1-13H,14H2 |
| InChIK | BTOQWDRFJMDMEZ-UHFFFAOYSA-N |
| TotalMolweight | 334.805 |
| Molweight | 334.805 |
| MonoisotopicMass | 334.08729 |
| CLogP | 4.6407 |
| CLogS | -4.118 |
| H Acceptors | 3 |
| TotalSurfaceArea | 260.71 |
| Relative PSA | 0.12255 |
| PolarSurfaceArea | 30.96 |
| Druglikeness | 1.9457 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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