| MolName | 1-benzyl-N-[(E)-(1-benzylbenzimidazol-2-yl)diazenyl]benzimidazol-2-amine |
| MolecularFormula | C28H23N7 |
| Smiles | C(c1ccccc1)n1c(N/N=N/c2nc(cccc3)c3n2Cc2ccccc2)nc2c1cccc2 |
| InChI | InChI=1S/C28H23N7/c1-3-11-21(12-4-1)19-34-25-17-9-7-15-23(25)29-27(34)31-33-32-28-30-24-16-8-10-18-26(24)35(28)20-22-13-5-2-6-14-22/h1-18H,19-20H2,(H,29,30,31,32) |
| InChIK | WOTXKMQSYPUMBK-UHFFFAOYSA-N |
| TotalMolweight | 457.54 |
| Molweight | 457.54 |
| MonoisotopicMass | 457.201493 |
| CLogP | 8.3164 |
| CLogS | -5.038 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 359.66 |
| Relative PSA | 0.19507 |
| PolarSurfaceArea | 72.39 |
| Druglikeness | -1.2145 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48571 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 30 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - 1-benzyl-N-[(E)-(1-benzylbenzimidazol-2-yl)diazenyl]benzimidazol-2-amine | 2 - 1-benzyl-N-[(E)-(1-benzylbenzimidazol-2-yl)diazenyl]benzimidazol-2-amine