N,N-Diphenyl-1H-imidazole-1-carboxamide

N,N-Diphenyl-1H-imidazole-1-carboxamide

Cat. No.: PI2875798

Product Details Other Identifiers Computed Properties
CAS 2875-79-8
Purity 97%
Molecular Formula C16H13N3O
Molecular Weight 263.29
Molar Refractivity 78.04
Pubchem ID 661299
InChI Key FYSIBSOBMCDYHZ-UHFFFAOYSA-N
MDL Number MFCD02585208
Hydrogen Bond Donor Count 0.0
Hydrogen Bond Acceptor Count 2.0
Rotatable Bond Count 4
Topological Polar Surface Area 38.13 Ų
Heavy Atom Count 20
Aromatic Heavy Atoms Number 17
Fraction Csp3 0.0
Log Po/w (iLOGP) 2.53
Log Po/w (XLOGP3) 3.02
Log Po/w (WLOGP) 3.69
Log Po/w (MLOGP) 2.55
Log Po/w (SILICOS-IT) 1.55
Consensus Log Po/w 2.67
GI Absorption High
BBB Permeant Yes
P-gp Substrate No
CYP1A2Inhibitor Yes
CYP2C19Inhibitor Yes
CYP2C9Inhibitor Yes
CYP2D6Inhibitor Yes
CYP3A4Inhibitor No
Log Kp (Skin Permeation) -5.76 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 0.0
Synthetic Accessibility 2.43

* Our products are for research use only.

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