CAS RN: 2219-12-7
2-(1-methyl-1H-benzimidazol-2-yl)phenol
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250904 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS2219-12-7
- Purity/Analytical Methods: >99.0%
2219-12-7 / 2-(1-methylbenzimidazol-2-yl)phenol
Basic Information
CAS
2219-12-7
Multi CAS
No
Molecular Formula
C14H12N2O
Molecular Weight
224.260000
Exact Mass
224.094963
SMILES
CN1C2=CC=CC=C2N=C1C3=CC=CC=C3O
InChI
InChI=1S/C14H12N2O/c1-16-12-8-4-3-7-11(12)15-14(16)10-6-2-5-9-13(10)17/h2-9,17H,1H3
InChIKey
DBUIKLZNAQEAEE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
67.81
TPSA
38.05
LogP / Solubility
WLOGP
2.95
MLOGP
2.6
XLogP3
2.7
Consensus LogP
2.75
Log S (ESOL)
-3.67
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.53
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
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
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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