3-Hydroxy-N-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)-2-naphthamide

Introduction

CAS No. :	26848-40-8	MDL No. :	MFCD00388332
Formula :	C18H13N3O3	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	QSDHDEWDUFYUCO-UHFFFAOYSA-N
M.W :	319.31	Pubchem ID :	117877
Synonyms :

Physicochemical Properties

Num. heavy atoms :	24
Num. arom. heavy atoms :	19
Fraction Csp3 :	0.0
Num. rotatable bonds :	3
Num. H-bond acceptors :	3.0
Num. H-bond donors :	4.0
Molar Refractivity :	92.66
TPSA :	97.98 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.23 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.6
Log Po/w (XLOGP3) :	2.84
Log Po/w (WLOGP) :	2.78
Log Po/w (MLOGP) :	2.11
Log Po/w (SILICOS-IT) :	3.28
Consensus Log Po/w :	2.52

Druglikeness

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

Water Solubility

Log S (ESOL) :	-4.0
Solubility :	0.0322 mg/ml ; 0.000101 mol/l
Class :	Soluble
Log S (Ali) :	-4.56
Solubility :	0.00888 mg/ml ; 0.0000278 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-6.42
Solubility :	0.000123 mg/ml ; 0.000000384 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	1.95

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

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