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CAS 118469-15-1 5-FLUORO-2-METHYLBENZIMIDAZOLE molecular structure lightbox
CAS RN: 118469-15-1

5-FLUORO-2-METHYLBENZIMIDAZOLE

  • Product code: SSC-018236
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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: 5g
  • Available purity: ＞97%
  • 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 118469-15-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

118469-15-1 / 6-fluoro-2-methyl-1H-benzimidazole

5-fluoro-2-methyl-1H-1,3-benzodiazole | RefChem:535829 | 807-796-6

Standard CAS: 118469-15-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
118469-15-1
Multi CAS
No
Molecular Formula
C8H7FN2
Molecular Weight
150.150000
Exact Mass
150.059326
SMILES
CC1=NC2=C(N1)C=C(C=C2)F
InChI
InChI=1S/C8H7FN2/c1-5-10-7-3-2-6(9)4-8(7)11-5/h2-4H,1H3,(H,10,11)
InChIKey
IWDUKSHNFODGKM-UHFFFAOYSA-N
Synonyms
5-fluoro-2-methyl-1H-1,3-benzodiazole RefChem:535829 807-796-6 5-fluoro-2-methyl-1H-benzo[d]imidazole 5-FLUORO-2-METHYLBENZIMIDAZOLE

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.79
TPSA
28.68

LogP / Solubility

WLOGP
2.01
MLOGP
1.76
XLogP3
2.2
Consensus LogP
1.99
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
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)
-2.21

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302+H312 (50%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal] H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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