4-Fluoro-1-isopropyl-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[d]imidazole

Cat. No.: PI1231930372

Product Details Other Identifiers Computed Properties

CAS	1231930-37-2
Purity	95%
Molecular Formula	C17H24BFN2O2
Molecular Weight	318.19
Molar Refractivity	92.01

Pubchem ID	67434758
InChI Key	HUSPISQCNSLJSR-UHFFFAOYSA-N
MDL Number	MFCD25977327

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	4.0
Rotatable Bond Count	2
Topological Polar Surface Area	36.28 Å²
Heavy Atom Count	23
Aromatic Heavy Atoms Number	9
Fraction Csp3	0.59
Log Po/w (iLOGP)	0.0
Log Po/w (XLOGP3)	3.63
Log Po/w (WLOGP)	3.78
Log Po/w (MLOGP)	2.45
Log Po/w (SILICOS-IT)	2.83
Consensus Log Po/w	2.54
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	Yes
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-5.66 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	1.0 alert
Leadlikeness	1.0
Synthetic Accessibility	3.41

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