(E)-3-(4H-imidazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide
Formula:C11H13N5O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4H-imidazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(4H-imidazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide |
| MolecularFormula | C11H13N5O |
| Smiles | O=C(/C=C/C1=NC=NC1)NCCc1cnc[nH]1 |
| InChI | InChI=1S/C11H13N5O/c17-11(2-1-9-5-12-7-15-9)14-4-3-10-6-13-8-16-10/h1-2,6-8H,3-5H2,(H,13,16)(H,14,17) |
| InChIK | SIWPPWLCCMEHIY-UHFFFAOYSA-N |
| TotalMolweight | 231.258 |
| Molweight | 231.258 |
| MonoisotopicMass | 231.11201 |
| CLogP | -0.8448 |
| CLogS | -1.368 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 192.81 |
| Relative PSA | 0.37591 |
| PolarSurfaceArea | 82.5 |
| Druglikeness | 2.2841 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - (E)-3-(4H-imidazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide | 2 - (E)-3-(4H-imidazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide
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