2,2'-Di(pyridin-4-yl)-1H,1'H-5,5'-bibenzo[d]imidazole

Introduction

CAS No. :	308362-25-6	MDL No. :	MFCD28963972
Formula :	C24H16N6	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	UHQFBTAJFNVZIV-UHFFFAOYSA-N
M.W :	388.42	Pubchem ID :	16659285
Synonyms :	SMT19969	Chemical Name :	2,2'-Di(pyridin-4-yl)-1H,1'H-5,5'-bibenzo[d]imidazole

Physicochemical Properties

Num. heavy atoms :	30
Num. arom. heavy atoms :	30
Fraction Csp3 :	0.0
Num. rotatable bonds :	3
Num. H-bond acceptors :	4.0
Num. H-bond donors :	2.0
Molar Refractivity :	117.64
TPSA :	83.14 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.93 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.03
Log Po/w (XLOGP3) :	3.86
Log Po/w (WLOGP) :	5.23
Log Po/w (MLOGP) :	2.39
Log Po/w (SILICOS-IT) :	5.38
Consensus Log Po/w :	3.78

Druglikeness

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

Water Solubility

Log S (ESOL) :	-5.22
Solubility :	0.00233 mg/ml ; 0.000006 mol/l
Class :	Moderately soluble
Log S (Ali) :	-5.3
Solubility :	0.00193 mg/ml ; 0.00000498 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-10.16
Solubility :	0.0000000267 mg/ml ; 0.0000000001 mol/l
Class :	Insoluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	2.53

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P280-P301+P312-P302+P352-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
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