2-(2-Hydroxy-5-Methoxy-Phenyl)-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 0.69 ALOGPS
logS -3.6 ALOGPS
Water Solubility 8.02e-02 g/l ALOGPS
logP 1.29 ChemAxon
IUPAC Name {amino[2-(2-hydroxy-5-methoxyphenyl)-1H-1,3-benzodiazol-5-yl]methylidene}azanium ChemAxon
Traditional IUPAC Name {amino[2-(2-hydroxy-5-methoxyphenyl)-1H-1,3-benzodiazol-5-yl]methylidene}azanium ChemAxon
Molecular Weight 283.3052 ChemAxon
Monoisotopic Weight 283.119500744 ChemAxon
SMILES COC1=CC=C(O)C(=C1)C1=NC2=C(N1)C=CC(=C2)C(N)=[NH2+] ChemAxon
Molecular Formula C15H15N4O2 ChemAxon
InChI InChI=1S/C15H14N4O2/c1-21-9-3-5-13(20)10(7-9)15-18-11-4-2-8(14(16)17)6-12(11)19-15/h2-7,20H,1H3,(H3,16,17)(H,18,19)/p+1 ChemAxon
InChIKey InChIKey=ZFCKHJJALHETHG-UHFFFAOYSA-O ChemAxon
Polar Surface Area (PSA) 109.75 ChemAxon
Refractivity 100.99 ChemAxon
Polarizability 30.73 ChemAxon
Rotatable Bond Count 3 ChemAxon
H Bond Acceptor Count 4 ChemAxon
H Bond Donor Count 4 ChemAxon
pKa (strongest acidic) 9.08 ChemAxon
pKa (strongest basic) 10.59 ChemAxon
Physiological Charge 1 ChemAxon
Number of Rings 3 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Trypsin-1 : in Human
  • Urokinase-type plasminogen activator : in Human