[email protected]
CAS 1189164-12-2 2-Bromo-5,6-dimethyl-1H-benzimidazole molecular structure lightbox
CAS RN: 1189164-12-2

2-Bromo-5,6-dimethyl-1H-benzimidazole

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251030 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1189164-12-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1189164-12-2 / 2-bromo-5,6-dimethyl-1H-benzimidazole

2-bromo-5,6-dimethyl-1H-benzo[d]imidazole | 2-Bromo-5,6-dimethyl-1H-benzimidazole | SCHEMBL1006779

Standard CAS: 1189164-12-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1189164-12-2
Multi CAS
No
Molecular Formula
C9H9BrN2
Molecular Weight
225.080000
Exact Mass
223.994910
SMILES
CC1=CC2=C(C=C1C)N=C(N2)Br
InChI
InChI=1S/C9H9BrN2/c1-5-3-7-8(4-6(5)2)12-9(10)11-7/h3-4H,1-2H3,(H,11,12)
InChIKey
OSFZZXAKWLOBPG-UHFFFAOYSA-N
Synonyms
2-bromo-5,6-dimethyl-1H-benzo[d]imidazole 2-Bromo-5,6-dimethyl-1H-benzimidazole SCHEMBL1006779 DTXSID10704663 MFCD17012033

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.22
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.27
TPSA
28.68

LogP / Solubility

WLOGP
2.94
MLOGP
2.59
XLogP3
3.2
Consensus LogP
2.91
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.53
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
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

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us