CAS RN: 2875-79-8
N,N-Diphenyl-1H-imidazole-1-carboxamide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260111 | 250mg / 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS2875-79-8
- Purity/Analytical Methods: >99.0%
2875-79-8 / N,N-diphenylimidazole-1-carboxamide
Basic Information
CAS
2875-79-8
Multi CAS
No
Molecular Formula
C16H13N3O
Molecular Weight
263.290000
Exact Mass
263.105862
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)N3C=CN=C3
InChI
InChI=1S/C16H13N3O/c20-16(18-12-11-17-13-18)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13H
InChIKey
FYSIBSOBMCDYHZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
17
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
78.04
TPSA
38.13
LogP / Solubility
WLOGP
3.69
MLOGP
3.25
XLogP3
3
Consensus LogP
3.31
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.67
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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