CAS RN: 1185319-78-1
1-Methyl-2-piperazin-1-yl-1H-benzoiMidazole hydrochloride, 98+% C12H17ClN4, MW: 252.75
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.20260313 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1185319-78-1
- Purity/Analytical Methods: >99.0%
1185319-78-1 / 1-methyl-2-piperazin-1-ylbenzimidazole;hydrochloride
1-Methyl-2-(piperazin-1-yl)-1H-benzo[d]imidazole hydrochloride | 1-Methyl-2-piperazin-1-yl-1H-benzoimidazole hydrochloride | 1-methyl-2-piperazin-1-ylbenzimidazole;hydrochloride
Basic Information
CAS
1185319-78-1
Multi CAS
No
Molecular Formula
C12H17ClN4
Molecular Weight
252.740000
Exact Mass
252.114174
SMILES
CN1C2=CC=CC=C2N=C1N3CCNCC3.Cl
InChI
InChI=1S/C12H16N4.ClH/c1-15-11-5-3-2-4-10(11)14-12(15)16-8-6-13-7-9-16;/h2-5,13H,6-9H2,1H3;1H
InChIKey
CGQYXYMCQYXFQA-UHFFFAOYSA-N
Synonyms
1-Methyl-2-(piperazin-1-yl)-1H-benzo[d]imidazole hydrochloride
1-Methyl-2-piperazin-1-yl-1H-benzoimidazole hydrochloride
1-methyl-2-piperazin-1-ylbenzimidazole;hydrochloride
1-methyl-2-(piperazin-1-yl)-1H-1,3-benzodiazole hydrochloride
DTXSID80671792
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
73.04
TPSA
33.09
LogP / Solubility
WLOGP
1.4
MLOGP
1.24
XLogP3
1.4
Consensus LogP
1.35
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
Class (SILICOS-IT)
Moderately 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)
-3.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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