N-[2-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
Formula:C23H21N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[2-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide |
| MolecularFormula | C23H21N3O2 |
| Smiles | O=C(c1ccco1)NCCc1nc(cccc2)c2n1C/C=C/c1ccccc1 |
| InChI | InChI=1S/C23H21N3O2/c27-23(21-13-7-17-28-21)24-15-14-22-25-19-11-4-5-12-20(19)26(22)16-6-10-18-8-2-1-3-9-18/h1-13,17H,14-16H2,(H,24,27) |
| InChIK | VPBUKTMWYJNTAT-UHFFFAOYSA-N |
| TotalMolweight | 371.439 |
| Molweight | 371.439 |
| MonoisotopicMass | 371.163377 |
| CLogP | 3.7862 |
| CLogS | -3.441 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 302.02 |
| Relative PSA | 0.18691 |
| PolarSurfaceArea | 60.06 |
| Druglikeness | 3.7377 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[2-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide | 2 - N-[2-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off