Chemical Properties of Imidazole-4-carboxamide, 1-benzyl-5-(benzylamino)- (CAS 7026-48-4)

InChI

InChI=1S/C18H18N4O/c19-17(23)16-18(20-11-14-7-3-1-4-8-14)22(13-21-16)12-15-9-5-2-6-10-15/h1-10,13,20H,11-12H2,(H2,19,23)

InChI Key

IKOPTFPVYMQQLP-UHFFFAOYSA-N

Formula

C18H18N4O

SMILES

NC(=O)c1ncn(Cc2ccccc2)c1NCc1ccccc1

Molecular Weight¹

306.36

CAS

7026-48-4

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to Imidazole-4-carboxamide, 1-benzyl-5-(benzylamino)-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.