CAS RN: 29096-75-1
2-Amino-5,6-dimethylbenzimidazole
Product Availability
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5 package records5 with current stock1 grade group
- Product code: starshine_CAS29096-75-1
- Purity/Analytical Methods: >99.0%
29096-75-1 / 5,6-dimethyl-1H-benzimidazol-2-amine
Basic Information
CAS
29096-75-1
Multi CAS
Yes
Molecular Formula
C9H11N3
Molecular Weight
161.200000
Exact Mass
161.095297
InChI
InChI=1S/C9H11N3/c1-5-3-7-8(4-6(5)2)12-9(10)11-7/h3-4H,1-2H3,(H3,10,11,12)
InChIKey
YPFQISHSXCFZMU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.22
H-bond acceptors
2
H-bond donors
2
Molar refractivity
49.98
TPSA
54.7
LogP / Solubility
WLOGP
1.76
MLOGP
1.55
XLogP3
1.5
Consensus LogP
1.6
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.17
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.45
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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