CAS RN: 89196-95-2
2-(2-BENZOFURANYL)-2-IMIDAZOLINE HYDROCHLORIDE
Product Availability
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4 package records3 with current stock1 grade group
- Product code: starshine_CAS89196-95-2
- Purity/Analytical Methods: >99.0%
89196-95-2 / 2-(1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride
Basic Information
CAS
89196-95-2
Multi CAS
Yes
Molecular Formula
C11H11CLN2O
Molecular Weight
222.670000
Exact Mass
222.055991
InChI
InChI=1S/C11H10N2O.ClH/c1-2-4-9-8(3-1)7-10(14-9)11-12-5-6-13-11;/h1-4,7H,5-6H2,(H,12,13);1H
InChIKey
RFNFFVDVGWOSNZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.87
TPSA
37.53
LogP / Solubility
WLOGP
2.2
MLOGP
1.94
XLogP3
2.2
Consensus LogP
2.11
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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