![CAS 129226-09-1 1H-Benzimidazole, 2-[1-[4-(2-methylpropyl)phenyl]ethyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/129226-09-1.gif)
CAS RN: 129226-09-1
1H-Benzimidazole, 2-[1-[4-(2-methylpropyl)phenyl]ethyl]-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260114 | 200mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS129226-09-1
- Purity/Analytical Methods: >99.0%
129226-09-1 / 2-[1-[4-(2-methylpropyl)phenyl]ethyl]-1H-benzimidazole
Basic Information
CAS
129226-09-1
Multi CAS
No
Molecular Formula
C19H22N2
Molecular Weight
278.400000
Exact Mass
278.178299
SMILES
CC(C)CC1=CC=C(C=C1)C(C)C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C19H22N2/c1-13(2)12-15-8-10-16(11-9-15)14(3)19-20-17-6-4-5-7-18(17)21-19/h4-11,13-14H,12H2,1-3H3,(H,20,21)
InChIKey
SOGGLHQFUVHVFT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
15
Fraction Csp3
0.32
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
88.59
TPSA
28.68
LogP / Solubility
WLOGP
4.91
MLOGP
4.33
XLogP3
5.4
Consensus LogP
4.88
Log S (ESOL)
-4.93
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.03
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 129241-89-0 N,N-bis[(1,1-dimethylethoxy)carbonyl]-5-oxo-, 1,1-dimethylethyl ester(WXG02486) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/129241-89-0.gif)
