1-[2-(4-chlorophenoxy)ethyl]-2-[(E)-2-(furan-2-yl)ethenyl]benzimidazole
Formula:C21H17N2O2Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
1-[2-(4-chlorophenoxy)ethyl]-2-[(E)-2-(furan-2-yl)ethenyl]benzimidazole is a drug-like molecule.
| MolName | 1-[2-(4-chlorophenoxy)ethyl]-2-[(E)-2-(furan-2-yl)ethenyl]benzimidazole |
| MolecularFormula | C21H17N2O2Cl |
| Smiles | Clc(cc1)ccc1OCCn1c(cccc2)c2nc1/C=C/c1ccco1 |
| InChI | InChI=1S/C21H17ClN2O2/c22-16-7-9-18(10-8-16)26-15-13-24-20-6-2-1-5-19(20)23-21(24)12-11-17-4-3-14-25-17/h1-12,14H,13,15H2 |
| InChIK | DMOJLRILILUKHU-UHFFFAOYSA-N |
| TotalMolweight | 364.831 |
| Molweight | 364.831 |
| MonoisotopicMass | 364.097855 |
| CLogP | 4.5579 |
| CLogS | -4.283 |
| H Acceptors | 4 |
| TotalSurfaceArea | 284.47 |
| Relative PSA | 0.14747 |
| PolarSurfaceArea | 40.19 |
| Druglikeness | 2.4174 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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