CAS RN: 6096-36-2
1H-Imidazole, 4,5-dihydro-2-methyl-1-(phenylmethyl)-
Product Availability
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3 package records0 with current stock1 grade group
- Product code: starshine_CAS6096-36-2
- Purity/Analytical Methods: >99.0%
6096-36-2 / 1-benzyl-2-methyl-4,5-dihydroimidazole
Basic Information
CAS
6096-36-2
Multi CAS
No
Molecular Formula
C11H14N2
Molecular Weight
174.240000
Exact Mass
174.115698
InChI
InChI=1S/C11H14N2/c1-10-12-7-8-13(10)9-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3
InChIKey
VHQUSQAWNQDYNA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
54.83
TPSA
15.6
LogP / Solubility
WLOGP
1.92
MLOGP
1.69
XLogP3
0.9
Consensus LogP
1.5
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
Class (SILICOS-IT)
Moderately 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)
-2.42
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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- CAS RN: 6097-21-8
- Product Code: starshine_CAS6097-21-8
- Purity/Analytical method: >99.0%
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