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CAS 104575-40-8 2-(4-FLUORO-PHENYL)-4-METHYL-1H-IMIDAZOLE molecular structure lightbox
CAS RN: 104575-40-8

2-(4-FLUORO-PHENYL)-4-METHYL-1H-IMIDAZOLE

  • Product code: SSC-006341
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 104575-40-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

104575-40-8 / 2-(4-fluorophenyl)-5-methyl-1H-imidazole

2-(4-Fluorophenyl)-4-methyl-1H-imidazole | 2-(4-fluorophenyl)-5-methyl-1H-imidazole | 2-(4-FLUORO-PHENYL)-4-METHYL-1H-IMIDAZOLE

Standard CAS: 104575-40-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
104575-40-8
Multi CAS
Yes
Molecular Formula
C10H9FN2
Molecular Weight
176.190000
Exact Mass
176.074976
SMILES
CC1=CN=C(N1)C2=CC=C(C=C2)F
InChI
InChI=1S/C10H9FN2/c1-7-6-12-10(13-7)8-2-4-9(11)5-3-8/h2-6H,1H3,(H,12,13)
InChIKey
DPUQCSPMWMEIML-UHFFFAOYSA-N
Synonyms
2-(4-Fluorophenyl)-4-methyl-1H-imidazole 2-(4-fluorophenyl)-5-methyl-1H-imidazole 2-(4-FLUORO-PHENYL)-4-METHYL-1H-IMIDAZOLE MFCD08668975 1H-Imidazole, 2-(4-fluorophenyl)-4-methyl-

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.72
TPSA
28.68

LogP / Solubility

WLOGP
2.52
MLOGP
2.22
XLogP3
2.2
Consensus LogP
2.31
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2

Drug-likeness / Medicinal Chemistry

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

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