![CAS 1146080-74-1 2-[2-(3-HydroxyMethyl-piperidin-1-yl)-benzoiMidazol-1-yl]-nicotinonitrile, 98+% C19H19N5O, MW: 333.39 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1146080-74-1.gif)
CAS RN: 1146080-74-1
2-[2-(3-HydroxyMethyl-piperidin-1-yl)-benzoiMidazol-1-yl]-nicotinonitrile, 98+% C19H19N5O, MW: 333.39
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.20250131 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1146080-74-1
- Purity/Analytical Methods: >99.0%
1146080-74-1 / 2-[2-[3-(hydroxymethyl)piperidin-1-yl]benzimidazol-1-yl]pyridine-3-carbonitrile
2-(2-(3-(hydroxymethyl)piperidin-1-yl)-1H-benzo[d]imidazol-1-yl)nicotinonitrile | 2-[2-[3-(hydroxymethyl)piperidin-1-yl]benzimidazol-1-yl]pyridine-3-carbonitrile | 2-[2-(3-Hydroxymethyl-piperidin-1-yl)-benzoimidazol-1-yl]-nicotinonitrile
Basic Information
CAS
1146080-74-1
Multi CAS
No
Molecular Formula
C19H19N5O
Molecular Weight
333.400000
Exact Mass
333.158960
SMILES
C1CC(CN(C1)C2=NC3=CC=CC=C3N2C4=C(C=CC=N4)C#N)CO
InChI
InChI=1S/C19H19N5O/c20-11-15-6-3-9-21-18(15)24-17-8-2-1-7-16(17)22-19(24)23-10-4-5-14(12-23)13-25/h1-3,6-9,14,25H,4-5,10,12-13H2
InChIKey
YWPNLDWNJSXZJM-UHFFFAOYSA-N
Synonyms
2-(2-(3-(hydroxymethyl)piperidin-1-yl)-1H-benzo[d]imidazol-1-yl)nicotinonitrile
2-[2-[3-(hydroxymethyl)piperidin-1-yl]benzimidazol-1-yl]pyridine-3-carbonitrile
2-[2-(3-Hydroxymethyl-piperidin-1-yl)-benzoimidazol-1-yl]-nicotinonitrile
3-Pyridinecarbonitrile, 2-[2-[3-(hydroxymethyl)-1-piperidinyl]-1H-benzimidazol-1-yl]-
2-{2-[3-(hydroxymethyl)piperidin-1-yl]-1H-1,3-benzodiazol-1-yl}pyridine-3-carbonitrile
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
15
Fraction Csp3
0.32
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
95.6
TPSA
77.97
LogP / Solubility
WLOGP
2.5
MLOGP
2.22
XLogP3
2.6
Consensus LogP
2.44
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.26
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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