4-(2-(2,6-Difluorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)pyridine

Introduction

CAS No. :	1784751-18-3	MDL No. :	MFCD30182287
Formula :	C20H12F3N3	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	TWPJJJZCYVFUOA-UHFFFAOYSA-N
M.W :	351.32	Pubchem ID :	91691129
Synonyms :		Chemical Name :	4-(2-(2,6-Difluorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)pyridine

Physicochemical Properties

Num. heavy atoms :	26
Num. arom. heavy atoms :	23
Fraction Csp3 :	0.0
Num. rotatable bonds :	3
Num. H-bond acceptors :	5.0
Num. H-bond donors :	1.0
Molar Refractivity :	92.56
TPSA :	41.57 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-5.4 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.82
Log Po/w (XLOGP3) :	4.28
Log Po/w (WLOGP) :	6.48
Log Po/w (MLOGP) :	3.98
Log Po/w (SILICOS-IT) :	6.26
Consensus Log Po/w :	4.76

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	1.0
Muegge :	0.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-5.17
Solubility :	0.00237 mg/ml ; 0.00000674 mol/l
Class :	Moderately soluble
Log S (Ali) :	-4.87
Solubility :	0.00479 mg/ml ; 0.0000136 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-9.21
Solubility :	0.000000216 mg/ml ; 0.0000000006 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	2.82

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P305+P351+P338	UN#:
Hazard Statements:	H302-H315-H319-H335	Packing Group:
GHS Pictogram:

Related View all 

• 

  Ghk-Cu

• 

  Gly-His-Lys acetate salt

• 

  N-Phenylacetyl-L-Prolylglycine ethyl ester

• 

  L-Phenylalanyl-L-isoleucine

• 

  L-Isoleucyl-L-phenylalanine

• 

  L-Ala-L-phe

• 

  L-Glutathione Reduced

• 

  L-Alanyl-L-tyrosine