4-(4-(4-Fluorophenyl)-5-(pyridin-4-yl)-1H-imidazol-2-yl)phenol

Introduction

CAS No. :	152121-30-7	MDL No. :	MFCD00941964
Formula :	C20H14FN3O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	QHKYPYXTTXKZST-UHFFFAOYSA-N
M.W :	331.34	Pubchem ID :	5169
Synonyms :	FHPI	Chemical Name :	4-(4-(4-Fluorophenyl)-5-(pyridin-4-yl)-1H-imidazol-2-yl)phenol

Physicochemical Properties

Num. heavy atoms :	25
Num. arom. heavy atoms :	23
Fraction Csp3 :	0.0
Num. rotatable bonds :	3
Num. H-bond acceptors :	4.0
Num. H-bond donors :	2.0
Molar Refractivity :	94.67
TPSA :	61.8 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-5.68 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.29
Log Po/w (XLOGP3) :	3.72
Log Po/w (WLOGP) :	5.07
Log Po/w (MLOGP) :	2.64
Log Po/w (SILICOS-IT) :	4.95
Consensus Log Po/w :	3.73

Druglikeness

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

Water Solubility

Log S (ESOL) :	-4.72
Solubility :	0.0063 mg/ml ; 0.000019 mol/l
Class :	Moderately soluble
Log S (Ali) :	-4.71
Solubility :	0.00647 mg/ml ; 0.0000195 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-8.09
Solubility :	0.00000269 mg/ml ; 0.0000000081 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.65

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

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