N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-1H-benzimidazol-2-amine
Formula:C18H19N5O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-1H-benzimidazol-2-amine is a drug-like molecule.
| MolName | N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-1H-benzimidazol-2-amine |
| MolecularFormula | C18H19N5O |
| Smiles | C(COCC1)N1c1ccc(/C=N/Nc2nc(cccc3)c3[nH]2)cc1 |
| InChI | InChI=1S/C18H19N5O/c1-2-4-17-16(3-1)20-18(21-17)22-19-13-14-5-7-15(8-6-14)23-9-11-24-12-10-23/h1-8,13H,9-12H2,(H2,20,21,22) |
| InChIK | MSFTUFAPLCOSMM-UHFFFAOYSA-N |
| TotalMolweight | 321.383 |
| Molweight | 321.383 |
| MonoisotopicMass | 321.15896 |
| CLogP | 4.479 |
| CLogS | -3.734 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 254.01 |
| Relative PSA | 0.24204 |
| PolarSurfaceArea | 65.54 |
| Druglikeness | 4.005 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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