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CAS 1480833-70-2 1-Methyl-1-[4-(4-trifluoromethoxy-phenyl)-1H-imidazol-2-yl]-ethylamine molecular structure lightbox
CAS RN: 1480833-70-2

1-Methyl-1-[4-(4-trifluoromethoxy-phenyl)-1H-imidazol-2-yl]-ethylamine

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260617 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1480833-70-2
  • Purity/Analytical Methods: >99.0%
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1480833-70-2 / 2-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]propan-2-amine

Standard CAS: 1480833-70-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1480833-70-2
Multi CAS
No
Molecular Formula
C13H14F3N3O
Molecular Weight
285.260000
Exact Mass
285.108897
SMILES
CC(C)(C1=NC=C(N1)C2=CC=C(C=C2)OC(F)(F)F)N
InChI
InChI=1S/C13H14F3N3O/c1-12(2,17)11-18-7-10(19-11)8-3-5-9(6-4-8)20-13(14,15)16/h3-7H,17H2,1-2H3,(H,18,19)
InChIKey
AGORGFNWYAUYSU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
11
Fraction Csp3
0.31
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
67.92
TPSA
63.93

LogP / Solubility

WLOGP
3.17
MLOGP
2.8
XLogP3
2.4
Consensus LogP
2.79
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
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)
-2.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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