(4S)-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-1-phenylpyrrolidin-2-one
Formula:C26H25N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4S)-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-1-phenylpyrrolidin-2-one is a drug-like molecule.
| MolName | (4S)-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-1-phenylpyrrolidin-2-one |
| MolecularFormula | C26H25N3O |
| Smiles | Cc1cc(Cn2c(cccc3)c3nc2[C@@H](CC2=O)CN2c2ccccc2)c(C)cc1 |
| InChI | InChI=1S/C26H25N3O/c1-18-12-13-19(2)20(14-18)16-29-24-11-7-6-10-23(24)27-26(29)21-15-25(30)28(17-21)22-8-4-3-5-9-22/h3-14,21H,15-17H2,1-2H3/t21-/m1/s1 |
| InChIK | SQTUIBOEOLSSPL-OAQYLSRUSA-N |
| TotalMolweight | 395.505 |
| Molweight | 395.505 |
| MonoisotopicMass | 395.199762 |
| CLogP | 4.996 |
| CLogS | -4.189 |
| H Acceptors | 4 |
| TotalSurfaceArea | 308.19 |
| Relative PSA | 0.11172 |
| PolarSurfaceArea | 38.13 |
| Druglikeness | 3.8007 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
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1 - (4S)-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-1-phenylpyrrolidin-2-one | 2 - (4S)-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-1-phenylpyrrolidin-2-one
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