(1-Methyl-1h-Imidazol-2-Yl)-(3-Methyl-4-{3-[(Pyridin-3-Ylmethyl)-Amino]-Propoxy}-Benzofuran-2-Yl)-Methanone

Status : experimental

Category

Dietary Supplements

Chemical Classification

This compound belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.

Benzofurans

Organic compounds

Organoheterocyclic compounds

Benzofurans

Calculated Property

kind Value Source
logP 2.83 ALOGPS
logS -4 ALOGPS
Water Solubility 4.25e-02 g/l ALOGPS
logP 2.55 ChemAxon
IUPAC Name (3-{[3-methyl-2-(1-methyl-1H-imidazole-2-carbonyl)-1-benzofuran-4-yl]oxy}propyl)(pyridin-3-ylmethyl)amine ChemAxon
Traditional IUPAC Name (3-{[3-methyl-2-(1-methylimidazole-2-carbonyl)-1-benzofuran-4-yl]oxy}propyl)(pyridin-3-ylmethyl)amine ChemAxon
Molecular Weight 404.4617 ChemAxon
Monoisotopic Weight 404.184840654 ChemAxon
SMILES CN1C=CN=C1C(=O)C1=C(C)C2=C(O1)C=CC=C2OCCCNCC1=CN=CC=C1 ChemAxon
Molecular Formula C23H24N4O3 ChemAxon
InChI InChI=1S/C23H24N4O3/c1-16-20-18(29-13-5-10-25-15-17-6-4-9-24-14-17)7-3-8-19(20)30-22(16)21(28)23-26-11-12-27(23)2/h3-4,6-9,11-12,14,25H,5,10,13,15H2,1-2H3 ChemAxon
InChIKey InChIKey=VZBQJKIOAOUYJL-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 82.18 ChemAxon
Refractivity 114.23 ChemAxon
Polarizability 44.88 ChemAxon
Rotatable Bond Count 9 ChemAxon
H Bond Acceptor Count 5 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest basic) 8.99 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 1 ChemAxon

Target within organism

  • Glycylpeptide N-tetradecanoyltransferase : in Yeast
  • Glycylpeptide N-tetradecanoyltransferase 1 : in Human