(Z)-2-(1H-benzimidazol-2-yl)-3-[1-(4-hydroxyphenyl)pyrrol-2-yl]prop-2-enenitrile
Formula:C20H14N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-2-(1H-benzimidazol-2-yl)-3-[1-(4-hydroxyphenyl)pyrrol-2-yl]prop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-2-(1H-benzimidazol-2-yl)-3-[1-(4-hydroxyphenyl)pyrrol-2-yl]prop-2-enenitrile |
| MolecularFormula | C20H14N4O |
| Smiles | N#C/C(/c1nc(cccc2)c2[nH]1)=C/c1cccn1-c(cc1)ccc1O |
| InChI | InChI=1S/C20H14N4O/c21-13-14(20-22-18-5-1-2-6-19(18)23-20)12-16-4-3-11-24(16)15-7-9-17(25)10-8-15/h1-12,25H,(H,22,23) |
| InChIK | LGMJABDWBLJBBT-UHFFFAOYSA-N |
| TotalMolweight | 326.358 |
| Molweight | 326.358 |
| MonoisotopicMass | 326.116761 |
| CLogP | 2.7149 |
| CLogS | -5.165 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 257.68 |
| Relative PSA | 0.22699 |
| PolarSurfaceArea | 77.63 |
| Druglikeness | -2.6419 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-2-(1H-benzimidazol-2-yl)-3-[1-(4-hydroxyphenyl)pyrrol-2-yl]prop-2-enenitrile | 2 - (Z)-2-(1H-benzimidazol-2-yl)-3-[1-(4-hydroxyphenyl)pyrrol-2-yl]prop-2-enenitrile
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off