1-{(1R,2S)-2-HYDROXY-1-[2-(2-NAPHTHYLOXY)ETHYL]PROPYL}-1H-IMIDAZONE-4-CARBOXAMIDE

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.

Naphthalenes

Organic compounds

Benzenoids

Naphthalenes

Calculated Property

kind Value Source
logP 2.08 ALOGPS
logS -4 ALOGPS
Water Solubility 3.69e-02 g/l ALOGPS
logP 1.79 ChemAxon
IUPAC Name 1-[(3R,4S)-4-hydroxy-1-(naphthalen-2-yloxy)pentan-3-yl]-1H-imidazole-4-carboxamide ChemAxon
Traditional IUPAC Name 1-[(3R,4S)-4-hydroxy-1-(naphthalen-2-yloxy)pentan-3-yl]imidazole-4-carboxamide ChemAxon
Molecular Weight 339.3883 ChemAxon
Monoisotopic Weight 339.158291553 ChemAxon
SMILES [H][C@@](C)(O)[C@@]([H])(CCOC1=CC2=C(C=CC=C2)C=C1)N1C=NC(=C1)C(N)=O ChemAxon
Molecular Formula C19H21N3O3 ChemAxon
InChI InChI=1S/C19H21N3O3/c1-13(23)18(22-11-17(19(20)24)21-12-22)8-9-25-16-7-6-14-4-2-3-5-15(14)10-16/h2-7,10-13,18,23H,8-9H2,1H3,(H2,20,24)/t13-,18+/m0/s1 ChemAxon
InChIKey InChIKey=UYAJDVNLQJVRHD-SCLBCKFNSA-N ChemAxon
Polar Surface Area (PSA) 90.37 ChemAxon
Refractivity 94.87 ChemAxon
Polarizability 36.33 ChemAxon
Rotatable Bond Count 7 ChemAxon
H Bond Acceptor Count 4 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 13.88 ChemAxon
pKa (strongest basic) 3.53 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 1 ChemAxon

Target within organism

  • Adenosine deaminase : in Human