CAS RN: 78076-40-1
N-(2-Amino-1H-benzimidazol-5-yl)benzamide
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.20250309 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: LINN928906
78076-40-1 / N-(2-amino-3H-benzimidazol-5-yl)benzamide
Basic Information
CAS
78076-40-1
Multi CAS
No
Molecular Formula
C14H12N4O
Molecular Weight
252.270000
Exact Mass
252.101111
InChI
InChI=1S/C14H12N4O/c15-14-17-11-7-6-10(8-12(11)18-14)16-13(19)9-4-2-1-3-5-9/h1-8H,(H,16,19)(H3,15,17,18)
InChIKey
CTYAYRIFIFAVFA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
74.9
TPSA
83.8
LogP / Solubility
WLOGP
2.4
MLOGP
2.12
XLogP3
2.1
Consensus LogP
2.21
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.56
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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