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CAS 25371-96-4 1-[2-(Trifluoromethyl)phenyl]imidazole molecular structure lightbox
CAS RN: 25371-96-4

1-[2-(Trifluoromethyl)phenyl]imidazole

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251112 1g Out of stock Inquiry
Batchno.20260618 200mg In stock Shandong Inquiry
Batchno.20250122 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20260610 5g Out of stock Inquiry
  • Product code: ICTT2982
  • Purity/Analytical Methods: >98.0%(GC)
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25371-96-4 / 1-[2-(trifluoromethyl)phenyl]imidazole

Standard CAS: 25371-96-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25371-96-4
Multi CAS
No
Molecular Formula
C10H7F3N2
Molecular Weight
212.170000
Exact Mass
212.056133
SMILES
C1=CC=C(C(=C1)C(F)(F)F)N2C=CN=C2
InChI
InChI=1S/C10H7F3N2/c11-10(12,13)8-3-1-2-4-9(8)15-6-5-14-7-15/h1-7H
InChIKey
WZBWBNCQUTXYEL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
48.57
TPSA
17.82

LogP / Solubility

WLOGP
2.89
MLOGP
2.55
XLogP3
2.6
Consensus LogP
2.68
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.96

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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