CAS RN: 1347702-71-9
1,4-bis(2-methyl-1H-imidazol-1-yl)benzene
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251206 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1347702-71-9
- Purity/Analytical Methods: >99.0%
1347702-71-9 / 2-methyl-1-[4-(2-methylimidazol-1-yl)phenyl]imidazole
Basic Information
CAS
1347702-71-9
Multi CAS
No
Molecular Formula
C14H14N4
Molecular Weight
238.290000
Exact Mass
238.121846
SMILES
CC1=NC=CN1C2=CC=C(C=C2)N3C=CN=C3C
InChI
InChI=1S/C14H14N4/c1-11-15-7-9-17(11)13-3-5-14(6-4-13)18-10-8-16-12(18)2/h3-10H,1-2H3
InChIKey
IIYKBRHJIZFDAJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
16
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
70.16
TPSA
35.64
LogP / Solubility
WLOGP
2.67
MLOGP
2.36
XLogP3
2.2
Consensus LogP
2.41
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.67
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)
-2.27
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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