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CAS 111883-62-6 2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]iMidazole molecular structure lightbox
CAS RN: 111883-62-6

2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]iMidazole

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Batchno.20250922 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS111883-62-6
  • Purity/Analytical Methods: >99.0%
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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

Standard CAS: 111883-62-6 Multi CAS: No
Basic Information Computed Properties

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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