![CAS 1211449-75-0 {3-[(2-isopropyl-1H-imidazol-1-yl)methyl]phenyl}amine dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1211449-75-0.gif)
CAS RN: 1211449-75-0
{3-[(2-isopropyl-1H-imidazol-1-yl)methyl]phenyl}amine dihydrochloride
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.20250427 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1211449-75-0
- Purity/Analytical Methods: >99.0%
1211449-75-0 / 3-[(2-propan-2-ylimidazol-1-yl)methyl]aniline;dihydrochloride
(3-((2-Isopropyl-1H-imidazol-1-yl)methyl)phenyl)amine dihydrochloride | 3-((2-Isopropyl-1H-imidazol-1-yl)methyl)aniline dihydrochloride | (3-((2-Isopropyl-1H-Imidazol-1-YL) Methyl)Phenyl) Amine Dihydrochloride
Basic Information
CAS
1211449-75-0
Multi CAS
Yes
Molecular Formula
C13H19Cl2N3
Molecular Weight
288.210000
Exact Mass
287.095603
SMILES
CC(C)C1=NC=CN1CC2=CC(=CC=C2)N.Cl.Cl
InChI
InChI=1S/C13H17N3.2ClH/c1-10(2)13-15-6-7-16(13)9-11-4-3-5-12(14)8-11;;/h3-8,10H,9,14H2,1-2H3;2*1H
InChIKey
ASCMEIMDCMKACT-UHFFFAOYSA-N
Synonyms
(3-((2-Isopropyl-1H-imidazol-1-yl)methyl)phenyl)amine dihydrochloride
3-((2-Isopropyl-1H-imidazol-1-yl)methyl)aniline dihydrochloride
(3-((2-Isopropyl-1H-Imidazol-1-YL) Methyl)Phenyl) Amine Dihydrochloride
MFCD18205897
{3-[(2-isopropyl-1H-imidazol-1-yl)methyl]phenyl}amine dihydrochloride
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.31
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
80.77
TPSA
43.84
LogP / Solubility
WLOGP
3.48
MLOGP
3.07
XLogP3
3.48
Consensus LogP
3.34
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.78
Class (SILICOS-IT)
Slightly 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)
-2.01
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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