CAS RN: 1018229-53-2
Ilaprazole Impurity
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250914 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1018229-53-2
- Purity/Analytical Methods: >99.0%
1018229-53-2 / 5-pyrrol-1-yl-1,3-dihydrobenzimidazol-2-one
1,3-dihydro-5-(1H-pyrrol-1-yl)-2H-benzimidazol-2-one | AS-84789 | E77820
Basic Information
CAS
1018229-53-2
Multi CAS
Yes
Molecular Formula
C11H9N3O
Molecular Weight
199.210000
Exact Mass
199.074562
SMILES
C1=CN(C=C1)C2=CC3=C(C=C2)NC(=O)N3
InChI
InChI=1S/C11H9N3O/c15-11-12-9-4-3-8(7-10(9)13-11)14-5-1-2-6-14/h1-7H,(H2,12,13,15)
InChIKey
QGCWORNUIDJVFR-UHFFFAOYSA-N
Synonyms
1,3-dihydro-5-(1H-pyrrol-1-yl)-2H-benzimidazol-2-one
AS-84789
E77820
5-(1H-pyrrol-1-yl)-1H-benzo[d]imidazol-2(3H)-one
5-(1H-Pyrrol-1-yl)-1,3-dihydro-2H-benzo[d]imidazol-2-one
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
58.25
TPSA
53.58
LogP / Solubility
WLOGP
1.65
MLOGP
1.45
XLogP3
1
Consensus LogP
1.37
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.44
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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