2-(1H-pyrazol-3-yl)-1H-benzimidazole

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).

Benzimidazoles

Organic compounds

Organoheterocyclic compounds

Benzimidazoles

Calculated Property

kind Value Source
logP 1.64 ALOGPS
logS -1.3 ALOGPS
Water Solubility 1.02e+01 g/l ALOGPS
logP 1.97 ChemAxon
IUPAC Name 2-(1H-pyrazol-3-yl)-1H-1,3-benzodiazole ChemAxon
Traditional IUPAC Name 2-(1H-pyrazol-3-yl)-1H-1,3-benzodiazole ChemAxon
Molecular Weight 184.1973 ChemAxon
Monoisotopic Weight 184.074896276 ChemAxon
SMILES N1C=CC(=N1)C1=NC2=CC=CC=C2N1 ChemAxon
Molecular Formula C10H8N4 ChemAxon
InChI InChI=1S/C10H8N4/c1-2-4-8-7(3-1)12-10(13-8)9-5-6-11-14-9/h1-6H,(H,11,14)(H,12,13) ChemAxon
InChIKey InChIKey=IYTGPPNUOLLGBE-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 57.36 ChemAxon
Refractivity 63.39 ChemAxon
Polarizability 19.49 ChemAxon
Rotatable Bond Count 1 ChemAxon
H Bond Acceptor Count 2 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 10.24 ChemAxon
pKa (strongest basic) 4.03 ChemAxon
Physiological Charge 0 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

  • Aurora kinase A : in Human