CAS RN: 1707-67-1
2-(2-Chlorophenyl)-4,5-diphenylimidazole
Product Availability
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4 package records4 with current stock1 grade group
- Product code: ICTC2240
- Purity/Analytical Methods: >98.0%(T)(HPLC)
1707-67-1 / 2-(2-chlorophenyl)-4,5-diphenyl-1H-imidazole
Basic Information
CAS
1707-67-1
Multi CAS
No
Molecular Formula
C21H15ClN2
Molecular Weight
330.800000
Exact Mass
330.092376
SMILES
C1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=CC=C3Cl)C4=CC=CC=C4
InChI
InChI=1S/C21H15ClN2/c22-18-14-8-7-13-17(18)21-23-19(15-9-3-1-4-10-15)20(24-21)16-11-5-2-6-12-16/h1-14H,(H,23,24)
InChIKey
NSWNXQGJAPQOID-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
23
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
99.91
TPSA
28.68
LogP / Solubility
WLOGP
6.06
MLOGP
5.35
XLogP3
5.7
Consensus LogP
5.7
Log S (ESOL)
-6.22
Class (ESOL)
Insoluble
Log S (Ali)
-6.65
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.2
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-0.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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