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Zolpidic Acid
CAS: 189005-44-5 | C17H16N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
189005-44-5
Molecular Formula:
C17H16N2O2
Molecular Mass:
280.33 g/mol
Names and Synonyms:
Zolpidic Acid
Imidazo[1,2-a]pyridine-3-acetic acid, 6-methyl-2-(4-methylphenyl)-
6-Methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-acetic acid
Zolpidic acid
Zolpacid
(6-Methyl-2-p-tolyl-imidazo[1,2-a]pyridin-3-yl)-acetic acid
2-[6-Methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid
2-(6-Methyl-2-(p-tolyl)imidazo[1,2-a]pyridin-3-yl)acetic acid
Identifiers:
SMILES:
Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)O)cc1
InChI:
InChI=1S/C17H16N2O2/c1-11-3-6-13(7-4-11)17-14(9-16(20)21)19-10-12(2)5-8-15(19)18-17/h3-8,10H,9H2,1-2H3,(H,20,21)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 280.33 g/mol | CAS Common Chemistry |
| 280.327 g/mol | RDKit | |
| 280.121177752 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CC1=C(N=C2C=CC(=CN21)C)C3=CC=C(C=C3)C | CAS Common Chemistry |
| InChI | InChI=1S/C17H16N2O2/c1-11-3-6-13(7-4-11)17-14(9-16(20)21)19-10-12(2)5-8-15(19)18-17/h3-8,10H,9H2,1-2H3,(H,20,21) | CAS Common Chemistry |
| InChI Key | InChIKey=JHGHLTNIQXXXNV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Zolpidic acid | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 54.60000000000001 Ų | RDKit |
| LogP | 3.245240000000001 | RDKit |
| Molar Refractivity | 81.44180000000003 | RDKit |
