![CAS 111883-62-6 2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]iMidazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/111883-62-6.gif)
CAS RN: 111883-62-6
2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]iMidazole
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250922 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS111883-62-6
- Purity/Analytical Methods: >99.0%
111883-62-6 / 2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
2-(4-fluorophenyl)-6,7-dihydro-5h-pyrrolo[1,2-a]imidazole | 5H-Pyrrolo[1,2-a]imidazole, 2-(4-fluorophenyl)-6,7-dihydro- | SCHEMBL4839735
Basic Information
CAS
111883-62-6
Multi CAS
No
Molecular Formula
C12H11FN2
Molecular Weight
202.230000
Exact Mass
202.090627
SMILES
C1CC2=NC(=CN2C1)C3=CC=C(C=C3)F
InChI
InChI=1S/C12H11FN2/c13-10-5-3-9(4-6-10)11-8-15-7-1-2-12(15)14-11/h3-6,8H,1-2,7H2
InChIKey
OQPKHWUHNNRULF-UHFFFAOYSA-N
Synonyms
2-(4-fluorophenyl)-6,7-dihydro-5h-pyrrolo[1,2-a]imidazole
5H-Pyrrolo[1,2-a]imidazole, 2-(4-fluorophenyl)-6,7-dihydro-
SCHEMBL4839735
SCHEMBL9840769
DTXSID70441906
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
55.94
TPSA
17.82
LogP / Solubility
WLOGP
2.64
MLOGP
2.32
XLogP3
2.1
Consensus LogP
2.35
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
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)
-2.08
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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