N-[(Z)-quinolin-4-ylmethylideneamino]-4,5-dihydro-1H-imidazol-2-amine
Formula:C13H13N5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-quinolin-4-ylmethylideneamino]-4,5-dihydro-1H-imidazol-2-amine is a drug-like molecule.
| MolName | N-[(Z)-quinolin-4-ylmethylideneamino]-4,5-dihydro-1H-imidazol-2-amine |
| MolecularFormula | C13H13N5 |
| Smiles | C1NC(N/N=C\c2ccnc3ccccc23)=NC1 |
| InChI | InChI=1S/C13H13N5/c1-2-4-12-11(3-1)10(5-6-14-12)9-17-18-13-15-7-8-16-13/h1-6,9H,7-8H2,(H2,15,16,18) |
| InChIK | VNMIEIYSZTVQEP-UHFFFAOYSA-N |
| TotalMolweight | 239.281 |
| Molweight | 239.281 |
| MonoisotopicMass | 239.117095 |
| CLogP | 1.7298 |
| CLogS | -3.638 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 191.29 |
| Relative PSA | 0.29751 |
| PolarSurfaceArea | 61.67 |
| Druglikeness | 5.6825 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-quinolin-4-ylmethylideneamino]-4,5-dihydro-1H-imidazol-2-amine | 2 - N-[(Z)-quinolin-4-ylmethylideneamino]-4,5-dihydro-1H-imidazol-2-amine
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