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CAS 116106-16-2 5-Bromo-6-methyl-1H-benzo[d]imidazole molecular structure lightbox
CAS RN: 116106-16-2

5-Bromo-6-methyl-1H-benzo[d]imidazole

  • Product code: SSC-016249
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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 116106-16-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

116106-16-2 / 5-bromo-6-methyl-1H-benzimidazole

5-bromo-6-methyl-1H-benzo[d]imidazole | 5-BROMO-6-METHYL-1H-BENZIMIDAZOLE | 1H-Benzimidazole, 6-bromo-5-methyl-

Standard CAS: 116106-16-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
116106-16-2
Multi CAS
No
Molecular Formula
C8H7BrN2
Molecular Weight
211.060000
Exact Mass
209.979260
SMILES
CC1=CC2=C(C=C1Br)N=CN2
InChI
InChI=1S/C8H7BrN2/c1-5-2-7-8(3-6(5)9)11-4-10-7/h2-4H,1H3,(H,10,11)
InChIKey
ZQHHVSZEBVWTRO-UHFFFAOYSA-N
Synonyms
5-bromo-6-methyl-1H-benzo[d]imidazole 5-BROMO-6-METHYL-1H-BENZIMIDAZOLE 1H-Benzimidazole, 6-bromo-5-methyl- MFCD11846340 6-Bromo-5-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
48.53
TPSA
28.68

LogP / Solubility

WLOGP
2.63
MLOGP
2.32
XLogP3
2.5
Consensus LogP
2.48
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
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)
-2.14

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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