(Z)-2-(1H-benzimidazol-2-yl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile
Formula:C18H16N4O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(Z)-2-(1H-benzimidazol-2-yl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-2-(1H-benzimidazol-2-yl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile |
| MolecularFormula | C18H16N4O2 |
| Smiles | N#C/C(/c1nc(cccc2)c2[nH]1)=C/c1ccc(N2CCOCC2)o1 |
| InChI | InChI=1S/C18H16N4O2/c19-12-13(18-20-15-3-1-2-4-16(15)21-18)11-14-5-6-17(24-14)22-7-9-23-10-8-22/h1-6,11H,7-10H2,(H,20,21) |
| InChIK | NLTIXGLRVWLYBW-UHFFFAOYSA-N |
| TotalMolweight | 320.351 |
| Molweight | 320.351 |
| MonoisotopicMass | 320.127326 |
| CLogP | 2.0308 |
| CLogS | -3.434 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 253.9 |
| Relative PSA | 0.26065 |
| PolarSurfaceArea | 78.08 |
| Druglikeness | -1.1046 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-2-(1H-benzimidazol-2-yl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile | 2 - (Z)-2-(1H-benzimidazol-2-yl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off