CAS RN: 1146080-31-0
2-Chloro-1-(5-nitro-pyridin-2-yl)-1H-benzoiMidazole, 98+%
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.20260224 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1146080-31-0
- Purity/Analytical Methods: >99.0%
1146080-31-0 / 2-chloro-1-(5-nitro-2-pyridinyl)benzimidazole
2-Chloro-1-(5-nitropyridin-2-yl)-1H-benzo[d]imidazole | 1H-Benzimidazole, 2-chloro-1-(5-nitro-2-pyridinyl)- | 2-Chloro-1-(5-nitro-pyridin-2-yl)-1H-benzoimidazole
Basic Information
CAS
1146080-31-0
Multi CAS
Yes
Molecular Formula
C12H7ClN4O2
Molecular Weight
274.660000
Exact Mass
274.025753
SMILES
C1=CC=C2C(=C1)N=C(N2C3=NC=C(C=C3)[N+](=O)[O-])Cl
InChI
InChI=1S/C12H7ClN4O2/c13-12-15-9-3-1-2-4-10(9)16(12)11-6-5-8(7-14-11)17(18)19/h1-7H
InChIKey
VWDXCWGXQHCOJQ-UHFFFAOYSA-N
Synonyms
2-Chloro-1-(5-nitropyridin-2-yl)-1H-benzo[d]imidazole
1H-Benzimidazole, 2-chloro-1-(5-nitro-2-pyridinyl)-
2-Chloro-1-(5-nitro-pyridin-2-yl)-1H-benzoimidazole
2-chloro-1-(5-nitropyridin-2-yl)benzimidazole
2-chloro-1-(5-nitropyridin-2-yl)-1H-1,3-benzodiazole
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
70.53
TPSA
73.85
LogP / Solubility
WLOGP
2.98
MLOGP
2.63
XLogP3
3.2
Consensus LogP
2.94
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.97
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.16
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
Bis-(6-chloro-pyridin-3-ylMethyl)-cyclopropyl-aMine, 98+% C15H15Cl2N3, MW: 308.21
- CAS RN: 1146080-51-4
- Product Code: starshine_CAS1146080-51-4
- Purity/Analytical method: >99.0%
-
4-[4-(Piperidine-1-carbonyl)-phenoxy]-piperidine-1-carboxylic acid tert-butyl ester, 98+% C22H32N2O4, MW: 388.51
- CAS RN: 1146080-53-6
- Product Code: starshine_CAS1146080-53-6
- Purity/Analytical method: >99.0%
-
3-[4-(Piperidine-1-carbonyl)-phenoxyMethyl]-piperidine-1-carboxylic acid tert-butyl ester, 98+% C23H34N2O4, MW: 402.54
- CAS RN: 1146080-55-8
- Product Code: starshine_CAS1146080-55-8
- Purity/Analytical method: >99.0%
-
3-[2-(Morpholine-4-carbonyl)-phenoxy]-piperidine-1-carboxylic acid tert-butyl ester, 98+% C21H30N2O5, MW: 390.48
- CAS RN: 1146080-58-1
- Product Code: starshine_CAS1146080-58-1
- Purity/Analytical method: >99.0%
-
1-[1-(5-Nitro-pyridin-2-yl)-1H-benzoiMidazol-2-yl]-piperidin-4-ol, 98+%
- CAS RN: 1146080-60-5
- Product Code: starshine_CAS1146080-60-5
- Purity/Analytical method: >99.0%
-
1-[1-(5-Nitro-pyridin-2-yl)-1H-benzoiMidazol-2-yl]-piperidin-3-ol, 98+% C17H17N5O3, MW: 339.36
- CAS RN: 1146080-62-7
- Product Code: starshine_CAS1146080-62-7
- Purity/Analytical method: >99.0%
![CAS 1146080-53-6 4-[4-(Piperidine-1-carbonyl)-phenoxy]-piperidine-1-carboxylic acid tert-butyl ester, 98+% C22H32N2O4, MW: 388.51 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1146080-53-6.gif)
![CAS 1146080-55-8 3-[4-(Piperidine-1-carbonyl)-phenoxyMethyl]-piperidine-1-carboxylic acid tert-butyl ester, 98+% C23H34N2O4, MW: 402.54 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1146080-55-8.gif)
![CAS 1146080-58-1 3-[2-(Morpholine-4-carbonyl)-phenoxy]-piperidine-1-carboxylic acid tert-butyl ester, 98+% C21H30N2O5, MW: 390.48 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1146080-58-1.gif)
![CAS 1146080-60-5 1-[1-(5-Nitro-pyridin-2-yl)-1H-benzoiMidazol-2-yl]-piperidin-4-ol, 98+% molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1146080-60-5.gif)
![CAS 1146080-62-7 1-[1-(5-Nitro-pyridin-2-yl)-1H-benzoiMidazol-2-yl]-piperidin-3-ol, 98+% C17H17N5O3, MW: 339.36 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1146080-62-7.gif)