N-[(Z)-(2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino]-1H-benzimidazol-2-amine
Formula:C21H16N6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-(2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino]-1H-benzimidazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino]-1H-benzimidazol-2-amine |
| MolecularFormula | C21H16N6 |
| Smiles | C(c1c(-c2ccccc2)nc2n1cccc2)=N\Nc1nc(cccc2)c2[nH]1 |
| InChI | InChI=1S/C21H16N6/c1-2-8-15(9-3-1)20-18(27-13-7-6-12-19(27)25-20)14-22-26-21-23-16-10-4-5-11-17(16)24-21/h1-14H,(H2,23,24,26) |
| InChIK | RQEYFTLUOBWBPN-UHFFFAOYSA-N |
| TotalMolweight | 352.4 |
| Molweight | 352.4 |
| MonoisotopicMass | 352.143644 |
| CLogP | 5.5567 |
| CLogS | -6.714 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 275.94 |
| Relative PSA | 0.24226 |
| PolarSurfaceArea | 70.37 |
| Druglikeness | 4.4225 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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