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CAS 2849-93-6 2-Benzimidazolecarboxylic acid molecular structure lightbox
CAS RN: 2849-93-6

2-Benzimidazolecarboxylic acid

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250816 100g In stock Inquiry
Batchno.20250727 1g In stock Inquiry
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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250110 1g / 5g / 25g / 100g Confirm by inquiry Shandong, Guangdong, Shanghai Inquiry
  • Product code: starshine_CAS2849-93-6
  • Purity/Analytical Methods: >99.0%
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2849-93-6 / 1H-benzimidazole-2-carboxylic acid

Standard CAS: 2849-93-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2849-93-6
Multi CAS
No
Molecular Formula
C8H6N2O2
Molecular Weight
162.150000
Exact Mass
162.042927
SMILES
C1=CC=C2C(=C1)NC(=N2)C(=O)O
InChI
InChI=1S/C8H6N2O2/c11-8(12)7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)(H,11,12)
InChIKey
RHXSYTACTOMVLJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
43.05
TPSA
65.98

LogP / Solubility

WLOGP
1.26
MLOGP
1.11
XLogP3
1.1
Consensus LogP
1.16
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.88
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.81

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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