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CAS 1541475-50-6 2-(3-Bromophenyl)-6-chloro-1H-benzo[d]imidazole molecular structure lightbox
CAS RN: 1541475-50-6

2-(3-Bromophenyl)-6-chloro-1H-benzo[d]imidazole

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250408 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1541475-50-6
  • Purity/Analytical Methods: >99.0%
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1541475-50-6 / 2-(3-bromophenyl)-6-chloro-1H-benzimidazole

Standard CAS: 1541475-50-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1541475-50-6
Multi CAS
No
Molecular Formula
C13H8BrClN2
Molecular Weight
307.570000
Exact Mass
305.955940
SMILES
C1=CC(=CC(=C1)Br)C2=NC3=C(N2)C=C(C=C3)Cl
InChI
InChI=1S/C13H8BrClN2/c14-9-3-1-2-8(6-9)13-16-11-5-4-10(15)7-12(11)17-13/h1-7H,(H,16,17)
InChIKey
NFSGFPCXDHZFDP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
74.24
TPSA
28.68

LogP / Solubility

WLOGP
4.65
MLOGP
4.1
XLogP3
4.6
Consensus LogP
4.45
Log S (ESOL)
-5.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.64
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.3

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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