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1-(3-fluorobenzyl)-5,6-dimethyl-1H-benzo[d]imidazole ID: ALA2270739
Chembl Id: CHEMBL2270739
PubChem CID: 15034537
Max Phase: Preclinical
Molecular Formula: C16H15FN2
Molecular Weight: 254.31
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: Cc1cc2ncn(Cc3cccc(F)c3)c2cc1C
Standard InChI: InChI=1S/C16H15FN2/c1-11-6-15-16(7-12(11)2)19(10-18-15)9-13-4-3-5-14(17)8-13/h3-8,10H,9H2,1-2H3
Standard InChI Key: RVOCLMIZQGTWAC-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: 254.31Molecular Weight (Monoisotopic): 254.1219AlogP: 3.84#Rotatable Bonds: 2Polar Surface Area: 17.82Molecular Species: NEUTRALHBA: 2HBD: ┄#RO5 Violations: ┄HBA (Lipinski): 2HBD (Lipinski): ┄#RO5 Violations (Lipinski): ┄CX Acidic pKa: ┄CX Basic pKa: 5.93CX LogP: 4.38CX LogD: 4.36Aromatic Rings: 3Heavy Atoms: 19QED Weighted: 0.68Np Likeness Score: -2.00
References 1. Vlaovic D, Canadanovic-Brunet J, Balaz J, Juranic I, Djokovic D, Mackenzie K. (1992) Synthesis, AntiBacteriol, and Antifungal Activities of Some New Benzimidazoles, 56 (2): [10.1271/bbb.56.199 ]
