(E)-2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-3-thiophen-2-ylprop-2-enenitrile
Formula:C21H14N3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(E)-2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-3-thiophen-2-ylprop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-3-thiophen-2-ylprop-2-enenitrile |
| MolecularFormula | C21H14N3ClS |
| Smiles | N#C/C(/c1nc(cccc2)c2n1Cc(cc1)ccc1Cl)=C\c1cccs1 |
| InChI | InChI=1S/C21H14ClN3S/c22-17-9-7-15(8-10-17)14-25-20-6-2-1-5-19(20)24-21(25)16(13-23)12-18-4-3-11-26-18/h1-12H,14H2 |
| InChIK | TVTCFVVTVSCBQF-UHFFFAOYSA-N |
| TotalMolweight | 375.882 |
| Molweight | 375.882 |
| MonoisotopicMass | 375.059694 |
| CLogP | 4.7846 |
| CLogS | -4.323 |
| H Acceptors | 3 |
| TotalSurfaceArea | 286.88 |
| Relative PSA | 0.18042 |
| PolarSurfaceArea | 69.85 |
| Druglikeness | -0.32512 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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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