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7-chloro-2-(2-pyridyl)benzimidazole ID: ALA2269950
Chembl Id: CHEMBL2269950
Cas Number: 71635-99-9
PubChem CID: 12509518
Max Phase: Preclinical
Molecular Formula: C12H8ClN3
Molecular Weight: 229.67
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: Clc1cccc2nc(-c3ccccn3)[nH]c12
Standard InChI: InChI=1S/C12H8ClN3/c13-8-4-3-6-9-11(8)16-12(15-9)10-5-1-2-7-14-10/h1-7H,(H,15,16)
Standard InChI Key: FAHNBACWQXANDT-UHFFFAOYSA-N
Associated Targets(non-human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: NoChirality: NoAvailability: NoProdrug: No
Drug Indications MESH ID MESH Heading EFO IDs EFO Terms Max Phase for Indication References
Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
Calculated Properties Molecular Weight: 229.67Molecular Weight (Monoisotopic): 229.0407AlogP: 3.28#Rotatable Bonds: 1Polar Surface Area: 41.57Molecular Species: NEUTRALHBA: 2HBD: 1#RO5 Violations: ┄HBA (Lipinski): 3HBD (Lipinski): 1#RO5 Violations (Lipinski): ┄CX Acidic pKa: 9.43CX Basic pKa: 2.14CX LogP: 3.06CX LogD: 3.05Aromatic Rings: 3Heavy Atoms: 16QED Weighted: 0.70Np Likeness Score: -1.53
References 1. HISANO T, ICHIKAWA M, TSUMOTO K, TASAKI M. (1992) Synthesis of benzoxazoles, benzothiazoles and benzimidazoles and evaluation of their antifungal, insecticidal and herbicidal activities., 30 (8): [10.1248/cpb.30.2996 ]
