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Chemistry
Heterocyclic Building Blocks
Imidazoles
Benzimidazole Derivatives
2-(4-Bromophenyl)-1H-benzo[d]imidazole
Chemistry
Material Science
Heterocyclic Building Blocks
Organic Building Blocks Material Chemical Compounds
Imidazoles
Benzimidazoles Aryls Bromides Small Molecule Semiconductor Building Blocks Ligands for Functional Metal Complexes
Benzimidazole Derivatives
2-phenyl-1H-benzo[d]imidazole

[ CAS No. 2622-74-4 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 2622-74-4
Chemical Structure| 2622-74-4
Chemical Structure| 2622-74-4
Structure of 2622-74-4 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 2622-74-4 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 2622-74-4 ]

SDS Specification
Alternatived Products of [ 2622-74-4 ]

Product Details of [ 2622-74-4 ]

CAS No. :2622-74-4 MDL No. :MFCD00224360
Formula : C13H9BrN2 Boiling Point : -
Linear Structure Formula :- InChI Key :YRWMGOSKROWAIT-UHFFFAOYSA-N
M.W : 273.13 Pubchem ID :286182
Synonyms :

Calculated chemistry of [ 2622-74-4 ]

Physicochemical Properties

Num. heavy atoms : 16
Num. arom. heavy atoms : 15
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 69.23
TPSA : 28.68 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -5.18 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.2
Log Po/w (XLOGP3) : 3.93
Log Po/w (WLOGP) : 3.99
Log Po/w (MLOGP) : 3.47
Log Po/w (SILICOS-IT) : 4.23
Consensus Log Po/w : 3.57

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -4.64
Solubility : 0.0063 mg/ml ; 0.0000231 mol/l
Class : Moderately soluble
Log S (Ali) : -4.23
Solubility : 0.016 mg/ml ; 0.0000587 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -6.28
Solubility : 0.000144 mg/ml ; 0.000000526 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.74

Safety of [ 2622-74-4 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Tags: 2622-74-4 synthesis path| 2622-74-4 SDS| 2622-74-4 COA| 2622-74-4 purity| 2622-74-4 application| 2622-74-4 NMR| 2622-74-4 COA| 2622-74-4 structure

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Chemistry
Heterocyclic Building Blocks
Benzimidazoles
Benzimidazole Derivatives
Chemistry
Heterocyclic Building Blocks
Imidazoles
2-phenyl-1H-benzo[d]imidazole
Chemistry
Organic Building Blocks
Aryls
Chemistry
Organic Building Blocks
Bromides
Material Science
Material Chemical Compounds
Small Molecule Semiconductor Building Blocks
Material Science
Material Chemical Compounds
Ligands for Functional Metal Complexes
Historical Records

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