CAS RN: 87954-60-7
1,3-Dimethylimidazolidin-2-imine hydrochloride
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock1 grade group
- Product code: LIND901385
87954-60-7 / 1,3-dimethylimidazolidin-2-imine;hydrochloride
Basic Information
CAS
87954-60-7
Multi CAS
No
Molecular Formula
C5H12CLN3
Molecular Weight
149.620000
Exact Mass
149.071975
InChI
InChI=1S/C5H11N3.ClH/c1-7-3-4-8(2)5(7)6;/h6H,3-4H2,1-2H3;1H
InChIKey
HHXAVIBJPQEZGJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.8
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.23
TPSA
30.33
LogP / Solubility
WLOGP
0.22
MLOGP
0.19
XLogP3
0.22
Consensus LogP
0.21
Log S (ESOL)
-0.91
Class (ESOL)
Very soluble
Log S (Ali)
-0.95
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.82
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
1,3-Bis(2-hydroxyethyl)-5,5-dimethylhydantoin
- CAS RN: 26850-24-8
- Product Code: SSC-125191
-
1,3-BIS(3-GLYCIDOXYPROPYL)TETRAMETHYLDISILOXANE
- CAS RN: 126-80-7
- Product Code: SSC-031439
-
Dichloro(di-μ-chloro)bis[1,3-bis(2,6-diisopropylphenyl)-2-imidazolidinylidene]dipalladium(II)
- CAS RN: 627878-09-5
- Product Code: SSC-172110
-
-
-
1,4,5,6,7,8-Hexahydro-cyclohepta[b]pyrrole-2-carboxylic acid ethyl ester
- CAS RN: 2107836-53-1
- Product Code: SSC-100480
![CAS 627878-09-5 Dichloro(di-μ-chloro)bis[1,3-bis(2,6-diisopropylphenyl)-2-imidazolidinylidene]dipalladium(II) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/627878-09-5.png)
![CAS 2107836-53-1 1,4,5,6,7,8-Hexahydro-cyclohepta[b]pyrrole-2-carboxylic acid ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/2107836-53-1.png)