(E)-N-[(1-benzylbenzimidazol-2-yl)methyl]-3-phenylprop-2-enamide
Formula:C24H21N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[(1-benzylbenzimidazol-2-yl)methyl]-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[(1-benzylbenzimidazol-2-yl)methyl]-3-phenylprop-2-enamide |
| MolecularFormula | C24H21N3O |
| Smiles | O=C(/C=C/c1ccccc1)NCc1nc(cccc2)c2n1Cc1ccccc1 |
| InChI | InChI=1S/C24H21N3O/c28-24(16-15-19-9-3-1-4-10-19)25-17-23-26-21-13-7-8-14-22(21)27(23)18-20-11-5-2-6-12-20/h1-16H,17-18H2,(H,25,28) |
| InChIK | FJSJWBUSLVSICL-UHFFFAOYSA-N |
| TotalMolweight | 367.451 |
| Molweight | 367.451 |
| MonoisotopicMass | 367.168462 |
| CLogP | 3.8251 |
| CLogS | -3.262 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 298.57 |
| Relative PSA | 0.14181 |
| PolarSurfaceArea | 46.92 |
| Druglikeness | 1.743 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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