1-(4-chloroanilino)-3-methyl-2-(3-methylbutyl)pyrido[1,2-a]benzimidazole-4-carbonitrile
Formula:C24H23N4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-(4-chloroanilino)-3-methyl-2-(3-methylbutyl)pyrido[1,2-a]benzimidazole-4-carbonitrile is not a drug-like molecule.
| MolName | 1-(4-chloroanilino)-3-methyl-2-(3-methylbutyl)pyrido[1,2-a]benzimidazole-4-carbonitrile |
| MolecularFormula | C24H23N4Cl |
| Smiles | CC(C)CCc(c(C)c1C#N)c(Nc(cc2)ccc2Cl)n2c1nc1c2cccc1 |
| InChI | InChI=1S/C24H23ClN4/c1-15(2)8-13-19-16(3)20(14-26)24-28-21-6-4-5-7-22(21)29(24)23(19)27-18-11-9-17(25)10-12-18/h4-7,9-12,15,27H,8,13H2,1-3H3 |
| InChIK | BDMIIWRCSLWDFJ-UHFFFAOYSA-N |
| TotalMolweight | 402.928 |
| Molweight | 402.928 |
| MonoisotopicMass | 402.161123 |
| CLogP | 6.5954 |
| CLogS | -9.452 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 317.02 |
| Relative PSA | 0.1386 |
| PolarSurfaceArea | 53.12 |
| Druglikeness | -3.7139 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.41379 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 1-(4-chloroanilino)-3-methyl-2-(3-methylbutyl)pyrido[1,2-a]benzimidazole-4-carbonitrile | 2 - 1-(4-chloroanilino)-3-methyl-2-(3-methylbutyl)pyrido[1,2-a]benzimidazole-4-carbonitrile
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