N-[2-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
Formula:C25H29N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide is a drug-like molecule.
| MolName | N-[2-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide |
| MolecularFormula | C25H29N3O |
| Smiles | O=C(C1CCCCC1)NCCc1nc(cccc2)c2n1C/C=C/c1ccccc1 |
| InChI | InChI=1S/C25H29N3O/c29-25(21-13-5-2-6-14-21)26-18-17-24-27-22-15-7-8-16-23(22)28(24)19-9-12-20-10-3-1-4-11-20/h1,3-4,7-12,15-16,21H,2,5-6,13-14,17-19H2,(H,26,29) |
| InChIK | VBWSRXWCSKGVFF-UHFFFAOYSA-N |
| TotalMolweight | 387.525 |
| Molweight | 387.525 |
| MonoisotopicMass | 387.231062 |
| CLogP | 4.4978 |
| CLogS | -3.915 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 320.37 |
| Relative PSA | 0.13216 |
| PolarSurfaceArea | 46.92 |
| Druglikeness | -0.28314 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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