N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)carbonyl]thiophene-2-carboxamide

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.

Phenylimidazoles

Organic compounds

Organoheterocyclic compounds

Azoles

Imidazoles

Calculated Property

kind Value Source
logP 1.72 ALOGPS
logS -3 ALOGPS
Water Solubility 3.46e-01 g/l ALOGPS
logP 1.46 ChemAxon
IUPAC Name N-hydroxy-5-{3-phenyl-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-7-carbonyl}thiophene-2-carboxamide ChemAxon
Traditional IUPAC Name N-hydroxy-5-{3-phenyl-5H,6H,8H-imidazo[1,2-a]pyrazine-7-carbonyl}thiophene-2-carboxamide ChemAxon
Molecular Weight 368.41 ChemAxon
Monoisotopic Weight 368.094311088 ChemAxon
SMILES ONC(=O)C1=CC=C(S1)C(=O)N1CCN2C(C1)=NC=C2C1=CC=CC=C1 ChemAxon
Molecular Formula C18H16N4O3S ChemAxon
InChI InChI=1S/C18H16N4O3S/c23-17(20-25)14-6-7-15(26-14)18(24)21-8-9-22-13(10-19-16(22)11-21)12-4-2-1-3-5-12/h1-7,10,25H,8-9,11H2,(H,20,23) ChemAxon
InChIKey InChIKey=SMSIXMLQOONOQQ-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 87.46 ChemAxon
Refractivity 97.28 ChemAxon
Polarizability 38.73 ChemAxon
Rotatable Bond Count 3 ChemAxon
H Bond Acceptor Count 4 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 8.93 ChemAxon
pKa (strongest basic) 5.69 ChemAxon
Physiological Charge 0 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

  • Histone deacetylase 4 : in Human