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CAS 1187385-86-9 6-Fluoro-1-methylbenzoimidazole molecular structure lightbox
CAS RN: 1187385-86-9

6-Fluoro-1-methylbenzoimidazole

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251108 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-018683
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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: ＞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 1187385-86-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1187385-86-9 / 6-fluoro-1-methylbenzimidazole

6-Fluoro-1-methyl-1H-benzo[d]imidazole | 6-FLUORO-1-METHYLBENZOIMIDAZOLE | 6-fluoro-1-methylbenzimidazole

Standard CAS: 1187385-86-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1187385-86-9
Multi CAS
No
Molecular Formula
C8H7FN2
Molecular Weight
150.150000
Exact Mass
150.059326
SMILES
CN1C=NC2=C1C=C(C=C2)F
InChI
InChI=1S/C8H7FN2/c1-11-5-10-7-3-2-6(9)4-8(7)11/h2-5H,1H3
InChIKey
AEERHQMQUIVHRC-UHFFFAOYSA-N
Synonyms
6-Fluoro-1-methyl-1H-benzo[d]imidazole 6-FLUORO-1-METHYLBENZOIMIDAZOLE 6-fluoro-1-methylbenzimidazole MFCD12546503 6-fluoro-1-methyl-1H-1,3-benzodiazole

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
2
Molar refractivity
40.67
TPSA
17.82

LogP / Solubility

WLOGP
1.71
MLOGP
1.5
XLogP3
1.5
Consensus LogP
1.57
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.06
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)
-2.42

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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