![CAS 1171247-63-4 1-(3-Bromophenyl)-2-phenyl-1H-benzo[d]imidazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1171247-63-4.gif)
CAS RN: 1171247-63-4
1-(3-Bromophenyl)-2-phenyl-1H-benzo[d]imidazole
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250428 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1171247-63-4
- Purity/Analytical Methods: >99.0%
1171247-63-4 / 1-(3-bromophenyl)-2-phenylbenzimidazole
1-(3-bromophenyl)-2-phenyl-1H-benzo[d]imidazole | 1h-benzimidazole, 1-(3-bromophenyl)-2-phenyl- | 1-(3-bromophenyl)-2-phenyl-1H-benzimidazole
Basic Information
CAS
1171247-63-4
Multi CAS
No
Molecular Formula
C19H13BrN2
Molecular Weight
349.200000
Exact Mass
348.026210
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3N2C4=CC(=CC=C4)Br
InChI
InChI=1S/C19H13BrN2/c20-15-9-6-10-16(13-15)22-18-12-5-4-11-17(18)21-19(22)14-7-2-1-3-8-14/h1-13H
InChIKey
XFQUMMGPGWTPOT-UHFFFAOYSA-N
Synonyms
1-(3-bromophenyl)-2-phenyl-1H-benzo[d]imidazole
1h-benzimidazole, 1-(3-bromophenyl)-2-phenyl-
1-(3-bromophenyl)-2-phenyl-1H-benzimidazole
1-(3-bromophenyl)-2-phenyl-1H-1,3-benzodiazole
SCHEMBL8512875
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
21
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
94.21
TPSA
17.82
LogP / Solubility
WLOGP
5.46
MLOGP
4.82
XLogP3
5.5
Consensus LogP
5.26
Log S (ESOL)
-6.02
Class (ESOL)
Insoluble
Log S (Ali)
-6.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.7
Class (SILICOS-IT)
Insoluble
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)
-0.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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