![CAS 1156930-01-6 5-Bromo-1-(3-methoxypropyl)-1H-benzo[d]imidazol-2-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1156930-01-6.gif)
CAS RN: 1156930-01-6
5-Bromo-1-(3-methoxypropyl)-1H-benzo[d]imidazol-2-amine
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.20250922 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1156930-01-6
- Purity/Analytical Methods: >99.0%
1156930-01-6 / 5-bromo-1-(3-methoxypropyl)benzimidazol-2-amine
5-Bromo-1-(3-methoxypropyl)-1H-benzo[d]imidazol-2-amine | 5-bromo-1-(3-methoxypropyl)benzimidazol-2-amine | MFCD12111892
Basic Information
CAS
1156930-01-6
Multi CAS
No
Molecular Formula
C11H14BrN3O
Molecular Weight
284.150000
Exact Mass
283.032020
SMILES
COCCCN1C2=C(C=C(C=C2)Br)N=C1N
InChI
InChI=1S/C11H14BrN3O/c1-16-6-2-5-15-10-4-3-8(12)7-9(10)14-11(15)13/h3-4,7H,2,5-6H2,1H3,(H2,13,14)
InChIKey
OBZTUGXOHKMBCK-UHFFFAOYSA-N
Synonyms
5-Bromo-1-(3-methoxypropyl)-1H-benzo[d]imidazol-2-amine
5-bromo-1-(3-methoxypropyl)benzimidazol-2-amine
MFCD12111892
BS-41981
CS-0059952
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
68.34
TPSA
53.07
LogP / Solubility
WLOGP
2.42
MLOGP
2.14
XLogP3
2.3
Consensus LogP
2.29
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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