(1E)-1-benzylidene-3,4-dihydro-2H-benzimidazolo[1,2-a]quinazoline
Formula:C21H17N3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1E)-1-benzylidene-3,4-dihydro-2H-benzimidazolo[1,2-a]quinazoline is a drug-like molecule.
| MolName | (1E)-1-benzylidene-3,4-dihydro-2H-benzimidazolo[1,2-a]quinazoline |
| MolecularFormula | C21H17N3 |
| Smiles | C(C/C1=C\c2ccccc2)Cc(cn2)c1n1c2nc2c1cccc2 |
| InChI | InChI=1S/C21H17N3/c1-2-7-15(8-3-1)13-16-9-6-10-17-14-22-21-23-18-11-4-5-12-19(18)24(21)20(16)17/h1-5,7-8,11-14H,6,9-10H2 |
| InChIK | LTYGTHHBMXWADT-UHFFFAOYSA-N |
| TotalMolweight | 311.387 |
| Molweight | 311.387 |
| MonoisotopicMass | 311.142247 |
| CLogP | 4.0075 |
| CLogS | -4.079 |
| H Acceptors | 3 |
| TotalSurfaceArea | 242.88 |
| Relative PSA | 0.12306 |
| PolarSurfaceArea | 30.19 |
| Druglikeness | -0.079051 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 2 |
| StereoCon |
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