Methyl 6-((4-bromo-2-fluorophenyl)amino)-7-fluoro-1H-benzo[d]imidazole-5-carboxylate

Cat. No.: PI606143480

Product Details Other Identifiers Computed Properties

CAS	606143-48-0
Purity	98%
Molecular Formula	C15H10BrF2N3O2
Molecular Weight	382.16
Molar Refractivity	84.53

Pubchem ID	11234394
InChI Key	CLTQHFHIUIFPMQ-UHFFFAOYSA-N
MDL Number	MFCD30608837

Hydrogen Bond Donor Count	2.0
Hydrogen Bond Acceptor Count	5.0
Rotatable Bond Count	4
Topological Polar Surface Area	67.01 Å²
Heavy Atom Count	23
Aromatic Heavy Atoms Number	15
Fraction Csp3	0.07
Log Po/w (iLOGP)	2.52
Log Po/w (XLOGP3)	4.33
Log Po/w (WLOGP)	4.97
Log Po/w (MLOGP)	3.46
Log Po/w (SILICOS-IT)	4.16
Consensus Log Po/w	3.89
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-5.56 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	0.0 alert
Leadlikeness	2.0
Synthetic Accessibility	2.75

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