N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1-benzyl-4,5-dihydroimidazol-2-amine
Formula:C18H18N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1-benzyl-4,5-dihydroimidazol-2-amine is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1-benzyl-4,5-dihydroimidazol-2-amine |
| MolecularFormula | C18H18N4O2 |
| Smiles | C(c1ccccc1)N1C(N/N=C\c(cc2)cc3c2OCO3)=NCC1 |
| InChI | InChI=1S/C18H18N4O2/c1-2-4-14(5-3-1)12-22-9-8-19-18(22)21-20-11-15-6-7-16-17(10-15)24-13-23-16/h1-7,10-11H,8-9,12-13H2,(H,19,21) |
| InChIK | YCNJTOCBIRSAEJ-UHFFFAOYSA-N |
| TotalMolweight | 322.367 |
| Molweight | 322.367 |
| MonoisotopicMass | 322.142976 |
| CLogP | 3.1962 |
| CLogS | -4.604 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 250.55 |
| Relative PSA | 0.23161 |
| PolarSurfaceArea | 58.45 |
| Druglikeness | 5.7694 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1-benzyl-4,5-dihydroimidazol-2-amine | 2 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1-benzyl-4,5-dihydroimidazol-2-amine
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