CAS RN: 13060-24-7
2-Octylbenzimidazole
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260128 | 1g / 5g / 10g / 25g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: LINO899595
13060-24-7 / 2-octyl-1H-benzimidazole
Basic Information
CAS
13060-24-7
Multi CAS
No
Molecular Formula
C15H22N2
Molecular Weight
230.350000
Exact Mass
230.178299
SMILES
CCCCCCCCC1=NC2=CC=CC=C2N1
InChI
InChI=1S/C15H22N2/c1-2-3-4-5-6-7-12-15-16-13-10-8-9-11-14(13)17-15/h8-11H,2-7,12H2,1H3,(H,16,17)
InChIKey
IRMWQHINYNTMNS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.53
Rotatable bonds
7
H-bond acceptors
1
H-bond donors
1
Molar refractivity
73.17
TPSA
28.68
LogP / Solubility
WLOGP
4.47
MLOGP
3.93
XLogP3
5.2
Consensus LogP
4.53
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.7
Class (SILICOS-IT)
Slightly soluble
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)
-0.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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