(E)-2-(1H-benzimidazol-2-yl)-1-(4-chlorophenyl)-3-(3-phenylmethoxyphenyl)prop-2-en-1-one
Formula:C29H21N2O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(1H-benzimidazol-2-yl)-1-(4-chlorophenyl)-3-(3-phenylmethoxyphenyl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-2-(1H-benzimidazol-2-yl)-1-(4-chlorophenyl)-3-(3-phenylmethoxyphenyl)prop-2-en-1-one |
| MolecularFormula | C29H21N2O2Cl |
| Smiles | O=C(/C(/c1nc(cccc2)c2[nH]1)=C/c1cc(OCc2ccccc2)ccc1)c(cc1)ccc1Cl |
| InChI | InChI=1S/C29H21ClN2O2/c30-23-15-13-22(14-16-23)28(33)25(29-31-26-11-4-5-12-27(26)32-29)18-21-9-6-10-24(17-21)34-19-20-7-2-1-3-8-20/h1-18H,19H2,(H,31,32) |
| InChIK | BQKQNMCBHYTBMK-UHFFFAOYSA-N |
| TotalMolweight | 464.951 |
| Molweight | 464.951 |
| MonoisotopicMass | 464.129155 |
| CLogP | 6.0838 |
| CLogS | -6.369 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 357.11 |
| Relative PSA | 0.13441 |
| PolarSurfaceArea | 54.98 |
| Druglikeness | 1.5 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-2-(1H-benzimidazol-2-yl)-1-(4-chlorophenyl)-3-(3-phenylmethoxyphenyl)prop-2-en-1-one | 2 - (E)-2-(1H-benzimidazol-2-yl)-1-(4-chlorophenyl)-3-(3-phenylmethoxyphenyl)prop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off