CAS RN: 43129-93-7
2-VINYLIMIDAZOLE
Product Availability
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4 package records3 with current stock3 grade groups
- Product code: starshine_CAS43129-93-7
- Purity/Analytical Methods: >99.0%
43129-93-7 / 2-ethenyl-1H-imidazole
Basic Information
CAS
43129-93-7
Multi CAS
Yes
Molecular Formula
C5H6N2
Molecular Weight
94.110000
Exact Mass
94.053098
InChI
InChI=1S/C5H6N2/c1-2-5-6-3-4-7-5/h2-4H,1H2,(H,6,7)
InChIKey
MLMGJTAJUDSUKA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
28.68
TPSA
28.68
LogP / Solubility
WLOGP
1.05
MLOGP
0.91
XLogP3
0.9
Consensus LogP
0.95
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-1.09
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.27
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)
-2.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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