Chemical Properties of Fuberidazole (CAS 3878-19-1)

InChI

InChI=1S/C11H8N2O/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7H,(H,12,13)

InChI Key

UYJUZNLFJAWNEZ-UHFFFAOYSA-N

Formula

C11H8N2O

SMILES

c1coc(-c2nc3ccccc3[nH]2)c1

Molecular Weight¹

184.19

CAS

3878-19-1

Other Names

• 1H-Benzimidazole, 2-(2-furanyl)-
• 2-(2'-Furyl)-benzimidazole
• 2-(2-Furanyl)-1H-benzimidazole
• 2-(2-Furyl)Benzimidazole
• 2-furan-2-yl-1H-benzimidazole
• B-33172
• BAY 33172
• Bayer 33172
• Benzimidazole, 2-(2-furyl)-
• Fuberidatol
• Fuberidazol
• Fuberisazol
• Fubridazole
• Furidazol
• Furidazole
• NSC 72670
• Voronit
• Voronite
• W Vii/117

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4984		Relay (1.0) Calculated Property
ΔfG°	250.46	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	156.00	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	91.02	kJ/mol	Relay (1.0) Calculated Property
IE	7.86	eV	Relay (1.0) Calculated Property
log10WS	-3.49		Aq. Solubility Prediction
logPoct/wat	2.341		Crippen Calculated Property
McVol	133.300	ml/mol	McGowan Calculated Property
Pc	5021.95	kPa	Relay (1.0-beta) Calculated Property
Inp	[1857.00; 1880.00]
Inp	1857.00		NIST
Inp	1880.00		NIST
Inp	1857.00		NIST
Tboil	620.34	K	Relay (1.0) Calculated Property
Tc	908.32	K	Relay (1.0) Calculated Property
Tfus	506.12	K	Relay (1.0) Calculated Property
Vc	0.545	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Fuberidazole.

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
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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