2-(1H-benzimidazol-2-yl)-1-phenylguanidine
Formula:C14H13N5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1H-benzimidazol-2-yl)-1-phenylguanidine is a drug-like molecule.
| MolName | 2-(1H-benzimidazol-2-yl)-1-phenylguanidine |
| MolecularFormula | C14H13N5 |
| Smiles | N/C(/Nc1ccccc1)=N/c1nc(cccc2)c2[nH]1 |
| InChI | InChI=1S/C14H13N5/c15-13(16-10-6-2-1-3-7-10)19-14-17-11-8-4-5-9-12(11)18-14/h1-9H,(H4,15,16,17,18,19) |
| InChIK | GOSCMMJAOFBTRJ-UHFFFAOYSA-N |
| TotalMolweight | 251.292 |
| Molweight | 251.292 |
| MonoisotopicMass | 251.117095 |
| CLogP | 2.1504 |
| CLogS | -3.921 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 198.9 |
| Relative PSA | 0.31775 |
| PolarSurfaceArea | 79.09 |
| Druglikeness | 0.65688 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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