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(2Z)-2-(1H-benzimidazol-2-ylimino)-2,3-dihydro-1H-imidazol-4-ol ID: ALA1927316
Chembl Id: CHEMBL1927316
PubChem CID: 56969911
Max Phase: Preclinical
Molecular Formula: C10H9N5O
Molecular Weight: 215.22
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: Oc1c[nH]/c(=N/c2nc3ccccc3[nH]2)[nH]1
Standard InChI: InChI=1S/C10H9N5O/c16-8-5-11-9(14-8)15-10-12-6-3-1-2-4-7(6)13-10/h1-5,16H,(H3,11,12,13,14,15)
Standard InChI Key: VRECDQYKWLHMEC-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: 215.22Molecular Weight (Monoisotopic): 215.0807AlogP: 1.16#Rotatable Bonds: 1Polar Surface Area: 92.85Molecular Species: NEUTRALHBA: 3HBD: 4#RO5 Violations: ┄HBA (Lipinski): 6HBD (Lipinski): 4#RO5 Violations (Lipinski): ┄CX Acidic pKa: 7.80CX Basic pKa: 5.96CX LogP: 1.21CX LogD: 1.16Aromatic Rings: 3Heavy Atoms: 16QED Weighted: 0.49Np Likeness Score: -0.65
References 1. Soliman AM, Mohamed SK, El Remaily MA, Abdel-Ghany H.. (2012) Synthesis and biological activity of dihydroimidazole and 3,4-dihydrobenzo[4,5]imidazo[1,2-a][1,3,5]triazins., 47 [PMID:22093758 ] [10.1016/j.ejmech.2011.10.034 ]