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CAS 1936068-82-4 5-Fluoro-2-(hydroxymethyl)-4-methylbenzimidazole molecular structure lightbox
CAS RN: 1936068-82-4

5-Fluoro-2-(hydroxymethyl)-4-methylbenzimidazole

  • Product code: SSC-091266
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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: 0.25g
  • 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 1936068-82-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1936068-82-4 / (5-fluoro-4-methyl-1H-benzimidazol-2-yl)methanol

Standard CAS: 1936068-82-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1936068-82-4
Multi CAS
No
Molecular Formula
C9H9FN2O
Molecular Weight
180.180000
Exact Mass
180.069891
SMILES
CC1=C(C=CC2=C1N=C(N2)CO)F
InChI
InChI=1S/C9H9FN2O/c1-5-6(10)2-3-7-9(5)12-8(4-13)11-7/h2-3,13H,4H2,1H3,(H,11,12)
InChIKey
YDTFPHIWIUXYJM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
46.71
TPSA
48.91

LogP / Solubility

WLOGP
1.5
MLOGP
1.32
XLogP3
1.1
Consensus LogP
1.31
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.2
Class (SILICOS-IT)
Moderately 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)
-2.75

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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