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CAS 1053659-26-9 2-(2-Bromophenyl)-1H-benzoimidazole-5-carboxylic acid molecular structure lightbox
CAS RN: 1053659-26-9

2-(2-Bromophenyl)-1H-benzoimidazole-5-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260217 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-007129
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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 1053659-26-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1053659-26-9 / 2-(2-bromophenyl)-3H-benzimidazole-5-carboxylic acid

DTXSID30655906 | 2-(2-Bromophenyl)-1H-benzimidazole-6-carboxylic acid | RefChem:250485

Standard CAS: 1053659-26-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1053659-26-9
Multi CAS
No
Molecular Formula
C14H9BrN2O2
Molecular Weight
317.140000
Exact Mass
315.984740
SMILES
C1=CC=C(C(=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)O)Br
InChI
InChI=1S/C14H9BrN2O2/c15-10-4-2-1-3-9(10)13-16-11-6-5-8(14(18)19)7-12(11)17-13/h1-7H,(H,16,17)(H,18,19)
InChIKey
VDQXOCQBIBFAIF-UHFFFAOYSA-N
Synonyms
DTXSID30655906 2-(2-Bromophenyl)-1H-benzimidazole-6-carboxylic acid RefChem:250485 DTXCID90606656 2-(2-bromophenyl)-3H-benzimidazole-5-carboxylic acid

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
76.19
TPSA
65.98

LogP / Solubility

WLOGP
3.69
MLOGP
3.26
XLogP3
3.4
Consensus LogP
3.45
Log S (ESOL)
-4.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.02
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.03

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501

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