CAS RN: 1257326-24-1
4,5-Dihydro-1-phenyl-3-(2-piperidinyl)methylimidazol-2(1H)-one
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: starshine_CAS1257326-24-1
- Purity/Analytical Methods: >99.0%
1257326-24-1 / 1-phenyl-3-(piperidin-2-ylmethyl)imidazolidin-2-one;hydrochloride
Basic Information
CAS
1257326-24-1
Multi CAS
No
Molecular Formula
C15H22ClN3O
Molecular Weight
295.810000
Exact Mass
295.145140
SMILES
C1CCNC(C1)CN2CCN(C2=O)C3=CC=CC=C3.Cl
InChI
InChI=1S/C15H21N3O.ClH/c19-15-17(12-13-6-4-5-9-16-13)10-11-18(15)14-7-2-1-3-8-14;/h1-3,7-8,13,16H,4-6,9-12H2;1H
InChIKey
BYJUVPWUMBVSTK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
83.65
TPSA
35.58
LogP / Solubility
WLOGP
2.49
MLOGP
2.2
XLogP3
2.49
Consensus LogP
2.39
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.79
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.01
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
Customers Also Viewed
-
![CAS 1257379-83-1 Iron(III) 1,3,5-benzenetricarboxylate hydrate, porous (F-free MIL-100(Fe), KRICT F100) [Iron trimesate] molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Iron(III) 1,3,5-benzenetricarboxylate hydrate, porous (F-free MIL-100(Fe), KRICT F100) [Iron trimesate]
- CAS RN: 1257379-83-1
- Product Code: starshine_CAS1257379-83-1
- Purity/Analytical method: >99.0%
-
2-oxa-7-azaspiro[3.5]nonane 2,2,2-trifluoroacetate
- CAS RN: 1257381-44-4
- Product Code: SSC-030998
-
Demethylagrimonolide 6-O-glucoside
- CAS RN: 1257408-55-1
- Product Code: starshine_CAS1257408-55-1
- Purity/Analytical method: >99.0%
-
2,7-di-tert-butyl-9,9-dimethyl-9,10-dihydroacridine
- CAS RN: 1257413-12-9
- Product Code: SSC-031002
-
-
(S)-2-nitro-6-((6-(4-(trifluoroMethoxy)phenyl)pyridin-3-yl)Methoxy)-6,7-dihydro-5H-iMidazo[2,1-b][1,3]oxazine
- CAS RN: 1257426-19-9
- Product Code: starshine_CAS1257426-19-9
- Purity/Analytical method: >99.0%
![CAS 1257379-83-1 Iron(III) 1,3,5-benzenetricarboxylate hydrate, porous (F-free MIL-100(Fe), KRICT F100) [Iron trimesate] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1257379-83-1.gif)
![CAS 1257381-44-4 2-oxa-7-azaspiro[3.5]nonane 2,2,2-trifluoroacetate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1257381-44-4.gif)
![CAS 1257426-19-9 (S)-2-nitro-6-((6-(4-(trifluoroMethoxy)phenyl)pyridin-3-yl)Methoxy)-6,7-dihydro-5H-iMidazo[2,1-b][1,3]oxazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1257426-19-9.gif)