N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-1H-benzimidazol-2-amine
Formula:C23H17N5Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-1H-benzimidazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-1H-benzimidazol-2-amine |
| MolecularFormula | C23H17N5Cl2 |
| Smiles | Clc(ccc(Cn1c(cccc2)c2c(/C=N\Nc2nc(cccc3)c3[nH]2)c1)c1)c1Cl |
| InChI | InChI=1S/C23H17Cl2N5/c24-18-10-9-15(11-19(18)25)13-30-14-16(17-5-1-4-8-22(17)30)12-26-29-23-27-20-6-2-3-7-21(20)28-23/h1-12,14H,13H2,(H2,27,28,29) |
| InChIK | BOQXFCVTCKUCLB-UHFFFAOYSA-N |
| TotalMolweight | 434.329 |
| Molweight | 434.329 |
| MonoisotopicMass | 433.086099 |
| CLogP | 7.5517 |
| CLogS | -6.081 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 320.33 |
| Relative PSA | 0.17107 |
| PolarSurfaceArea | 58 |
| Druglikeness | 5.097 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-1H-benzimidazol-2-amine | 2 - N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-1H-benzimidazol-2-amine
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