N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-1H-benzimidazol-2-amine
Formula:C21H17N4OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-1H-benzimidazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-1H-benzimidazol-2-amine |
| MolecularFormula | C21H17N4OBr |
| Smiles | Brc1ccc(COc2c(/C=N\Nc3nc(cccc4)c4[nH]3)cccc2)cc1 |
| InChI | InChI=1S/C21H17BrN4O/c22-17-11-9-15(10-12-17)14-27-20-8-4-1-5-16(20)13-23-26-21-24-18-6-2-3-7-19(18)25-21/h1-13H,14H2,(H2,24,25,26) |
| InChIK | IUHFAWYIZDLQQU-UHFFFAOYSA-N |
| TotalMolweight | 421.297 |
| Molweight | 421.297 |
| MonoisotopicMass | 420.058572 |
| CLogP | 6.8833 |
| CLogS | -5.806 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 294.32 |
| Relative PSA | 0.19683 |
| PolarSurfaceArea | 62.3 |
| Druglikeness | 0.81363 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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