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Molecule
2-Phenyl-4-Methylimidazole
CAS: 827-43-0 · C10H10N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 827-43-0
- Molecular Formula
- C10H10N2
- Molecular Mass
- 158.20 g/mol
Identifiers
CAS Registry Number
827-43-0
SMILES
Cc1cnc(-c2ccccc2)[nH]1
InChI Key
TYOXIFXYEIILLY-UHFFFAOYSA-N
InChI
InChI=1S/C10H10N2/c1-8-7-11-10(12-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)
Names and Synonyms
- 2-Phenyl-4-Methylimidazole Synonym
- 1H-Imidazole, 5-methyl-2-phenyl- Synonym
- Imidazole, 4(or 5)-methyl-2-phenyl- Synonym
- 1H-Imidazole, 4-methyl-2-phenyl- Synonym
- 5-Methyl-2-phenyl-1H-imidazole Synonym
- 2-Phenyl-4-methylimidazole Synonym
- 4-Methyl-2-phenylimidazole Synonym
- Curezol 2P4MZ Synonym
- 2P4MZ Synonym
- 4-Methyl-2-phenyl-1H-imidazole Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 158.20 g/mol | CAS Common Chemistry |
| 158.204 g/mol | RDKit | |
| Canonical SMILES | N=1C=C(NC1C=2C=CC=CC2)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H10N2/c1-8-7-11-10(12-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12) | CAS Common Chemistry |
| InChI Key | InChIKey=TYOXIFXYEIILLY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 180 °C | CAS Common Chemistry |
| Name | 2-Phenyl-4-methylimidazole | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 28.68 Ų | RDKit |
| LogP | 2.3851199999999997 | RDKit |
| 2.3851 | RDKit | |
| Molar Refractivity | 48.76070000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1 | RDKit |
| Exact Mass | 158.08439832 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 158.20 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H10N2.
