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CAS RN: 1082192-60-6
2-(1H-Benzo[d]iMidazol-2-yl)pyridin-4-aMine
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.20260611 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1082192-60-6
- Purity/Analytical Methods: >99.0%
1082192-60-6 / 2-(1H-benzimidazol-2-yl)pyridin-4-amine
2-(1H-Benzo[d]imidazol-2-yl)pyridin-4-amine | 2(1H-benzoimidazol-2-yl)-pyridin-4-yl amine | MFCD11107322
Basic Information
CAS
1082192-60-6
Multi CAS
No
Molecular Formula
C12H10N4
Molecular Weight
210.230000
Exact Mass
210.090546
SMILES
C1=CC=C2C(=C1)NC(=N2)C3=NC=CC(=C3)N
InChI
InChI=1S/C12H10N4/c13-8-5-6-14-11(7-8)12-15-9-3-1-2-4-10(9)16-12/h1-7H,(H2,13,14)(H,15,16)
InChIKey
LMMVVCLDIDIEHL-UHFFFAOYSA-N
Synonyms
2-(1H-Benzo[d]imidazol-2-yl)pyridin-4-amine
2(1H-benzoimidazol-2-yl)-pyridin-4-yl amine
MFCD11107322
2-(1H-benzimidazol-2-yl)pyridin-4-amine
2-(1H-1,3-BENZODIAZOL-2-YL)PYRIDIN-4-AMINE
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
63.74
TPSA
67.59
LogP / Solubility
WLOGP
2.21
MLOGP
1.94
XLogP3
1.7
Consensus LogP
1.95
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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