CAS RN: 29239-89-2
2-Methyl-4-ethylimidazole
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3 package records1 with current stock1 grade group
- Product code: starshine_CAS29239-89-2
- Purity/Analytical Methods: >99.0%
29239-89-2 / 5-ethyl-2-methyl-1H-imidazole
Basic Information
CAS
29239-89-2
Multi CAS
No
Molecular Formula
C6H10N2
Molecular Weight
110.160000
Exact Mass
110.084398
InChI
InChI=1S/C6H10N2/c1-3-6-4-7-5(2)8-6/h4H,3H2,1-2H3,(H,7,8)
InChIKey
RIAHASMJDOMQER-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
32.7
TPSA
28.68
LogP / Solubility
WLOGP
1.28
MLOGP
1.12
XLogP3
1.3
Consensus LogP
1.23
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-1.39
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.56
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
