2-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety where its imidazole ring is attached to a phenyl group.

Phenylbenzimidazoles

Organic compounds

Organoheterocyclic compounds

Benzimidazoles

Phenylbenzimidazoles

Calculated Property

kind Value Source
logP 3.48 ALOGPS
logS -4.7 ALOGPS
Water Solubility 5.99e-03 g/l ALOGPS
logP 3.16 ChemAxon
IUPAC Name 2-(2-hydroxy-3-phenylphenyl)-1H-1,3-benzodiazole-5-carboximidamide ChemAxon
Traditional IUPAC Name 2-(2-hydroxy-3-phenylphenyl)-1H-1,3-benzodiazole-5-carboximidamide ChemAxon
Molecular Weight 328.3672 ChemAxon
Monoisotopic Weight 328.132411154 ChemAxon
SMILES NC(=N)C1=CC2=C(NC(=N2)C2=CC=CC(C3=CC=CC=C3)=C2O)C=C1 ChemAxon
Molecular Formula C20H16N4O ChemAxon
InChI InChI=1S/C20H16N4O/c21-19(22)13-9-10-16-17(11-13)24-20(23-16)15-8-4-7-14(18(15)25)12-5-2-1-3-6-12/h1-11,25H,(H3,21,22)(H,23,24) ChemAxon
InChIKey InChIKey=LMGQGPVCSYOMNS-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 98.78 ChemAxon
Refractivity 118.86 ChemAxon
Polarizability 36.64 ChemAxon
Rotatable Bond Count 3 ChemAxon
H Bond Acceptor Count 4 ChemAxon
H Bond Donor Count 4 ChemAxon
pKa (strongest acidic) 8.85 ChemAxon
pKa (strongest basic) 10.61 ChemAxon
Physiological Charge 1 ChemAxon
Number of Rings 4 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Prothrombin : in Human
  • Urokinase-type plasminogen activator : in Human