Diethyl 2-propyl-1H-imidazole-4,5-dicarboxylate

Cat. No.: PI144689941

Product Details Other Identifiers Computed Properties

CAS	144689-94-1
Purity	95%
Molecular Formula	C12H18N2O4
Molecular Weight	254.28
Molar Refractivity	65.34

Pubchem ID	10286015
InChI Key	ZQPMIDPIXSMOAD-UHFFFAOYSA-N
MDL Number	MFCD08062365

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	5.0
Rotatable Bond Count	8
Topological Polar Surface Area	81.28 Å²
Heavy Atom Count	18
Aromatic Heavy Atoms Number	5
Fraction Csp3	0.58
Log Po/w (iLOGP)	2.62
Log Po/w (XLOGP3)	2.36
Log Po/w (WLOGP)	1.72
Log Po/w (MLOGP)	0.8
Log Po/w (SILICOS-IT)	2.64
Consensus Log Po/w	2.03
GI Absorption	High
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.18 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	2.78

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