1-(biphenyl-4-ylmethyl)-1H-imidazole

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.

Biphenyls and derivatives

Organic compounds

Benzenoids

Benzene and substituted derivatives

Biphenyls and derivatives

Calculated Property

kind Value Source
logP 3.38 ALOGPS
logS -3.7 ALOGPS
Water Solubility 4.31e-02 g/l ALOGPS
logP 3.45 ChemAxon
IUPAC Name 1-[(4-phenylphenyl)methyl]-1H-imidazole ChemAxon
Traditional IUPAC Name 1-[(4-phenylphenyl)methyl]imidazole ChemAxon
Molecular Weight 234.2958 ChemAxon
Monoisotopic Weight 234.115698458 ChemAxon
SMILES C(N1C=CN=C1)C1=CC=C(C=C1)C1=CC=CC=C1 ChemAxon
Molecular Formula C16H14N2 ChemAxon
InChI InChI=1S/C16H14N2/c1-2-4-15(5-3-1)16-8-6-14(7-9-16)12-18-11-10-17-13-18/h1-11,13H,12H2 ChemAxon
InChIKey InChIKey=DLYMRVCQTVOYEW-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 17.82 ChemAxon
Refractivity 73.66 ChemAxon
Polarizability 26.45 ChemAxon
Rotatable Bond Count 3 ChemAxon
H Bond Acceptor Count 1 ChemAxon
H Bond Donor Count 0 ChemAxon
pKa (strongest basic) 6.75 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

  • Cytochrome P450 2B6 : in Human