(Z)-2-(1H-benzimidazol-2-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]-1-phenylethanimine
Formula:C22H17N5O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-2-(1H-benzimidazol-2-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]-1-phenylethanimine is a drug-like molecule.
| MolName | (Z)-2-(1H-benzimidazol-2-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]-1-phenylethanimine |
| MolecularFormula | C22H17N5O2 |
| Smiles | [O-][N+](c1ccc(/C=N\N=C(/Cc2nc(cccc3)c3[nH]2)\c2ccccc2)cc1)=O |
| InChI | InChI=1S/C22H17N5O2/c28-27(29)18-12-10-16(11-13-18)15-23-26-21(17-6-2-1-3-7-17)14-22-24-19-8-4-5-9-20(19)25-22/h1-13,15H,14H2,(H,24,25) |
| InChIK | MEDSNZTWDYIYHR-UHFFFAOYSA-N |
| TotalMolweight | 383.41 |
| Molweight | 383.41 |
| MonoisotopicMass | 383.138225 |
| CLogP | 4.5625 |
| CLogS | -5.582 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 300.87 |
| Relative PSA | 0.26058 |
| PolarSurfaceArea | 99.22 |
| Druglikeness | -2.4319 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (Z)-2-(1H-benzimidazol-2-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]-1-phenylethanimine | 2 - (Z)-2-(1H-benzimidazol-2-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]-1-phenylethanimine
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