CAS RN: 1185311-18-5
1-(1-Methyl-1H-benzoiMidazol-2-yl)-piperidin-3-ylaMine hydrochloride, 98+% C13H19ClN4, MW: 266.78
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.20250220 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1185311-18-5
- Purity/Analytical Methods: >99.0%
1185311-18-5 / 1-(1-methylbenzimidazol-2-yl)piperidin-3-amine;hydrochloride
1-(1-Methyl-1H-benzo[d]imidazol-2-yl)piperidin-3-amine hydrochloride | 1-(1-Methyl-1H-benzoimidazol-2-yl)-piperidin-3-ylamine hydrochloride | 1-(1-methylbenzimidazol-2-yl)piperidin-3-amine;hydrochloride
Basic Information
CAS
1185311-18-5
Multi CAS
No
Molecular Formula
C13H19ClN4
Molecular Weight
266.770000
Exact Mass
266.129824
SMILES
CN1C2=CC=CC=C2N=C1N3CCCC(C3)N.Cl
InChI
InChI=1S/C13H18N4.ClH/c1-16-12-7-3-2-6-11(12)15-13(16)17-8-4-5-10(14)9-17;/h2-3,6-7,10H,4-5,8-9,14H2,1H3;1H
InChIKey
NHNOULBVEFXASH-UHFFFAOYSA-N
Synonyms
1-(1-Methyl-1H-benzo[d]imidazol-2-yl)piperidin-3-amine hydrochloride
1-(1-Methyl-1H-benzoimidazol-2-yl)-piperidin-3-ylamine hydrochloride
1-(1-methylbenzimidazol-2-yl)piperidin-3-amine;hydrochloride
1-(1-methyl-1H-1,3-benzodiazol-2-yl)piperidin-3-amine hydrochloride
DTXSID80671434
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.46
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
77.38
TPSA
47.08
LogP / Solubility
WLOGP
1.92
MLOGP
1.7
XLogP3
1.92
Consensus LogP
1.85
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.11
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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