Back to Search
Α-Methyl-1H-Benzimidazole-2-Methanol
CAS: 19018-24-7 | C9H10N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
19018-24-7
Molecular Formula:
C9H10N2O
Molecular Mass:
162.19 g/mol
Names and Synonyms:
Α-Methyl-1H-Benzimidazole-2-Methanol
1H-Benzimidazole-2-methanol, α-methyl-
2-Benzimidazolemethanol, α-methyl-
α-Methyl-1H-benzimidazole-2-methanol
2-(1′-Hydroxyethyl)benzimidazole
2-(α-Hydroxyethyl)benzimidazole
2-(1-Hydroxyethyl)benzimidazole
1-(1H-Benzimidazol-2-yl)ethanol
(±)-1-(1H-Benzimidazol-2-yl)ethanol
1-(1H-Benzo[d]imidazol-2-yl)ethanol
1-(1H-1,3-Benzodiazol-2-yl)ethan-1-ol
Identifiers:
SMILES:
CC(O)c1nc2ccccc2[nH]1
InChI:
InChI=1S/C9H10N2O/c1-6(12)9-10-7-4-2-3-5-8(7)11-9/h2-6,12H,1H3,(H,10,11)
Key Properties
Melting Point
179-180 °C
CAS Common Chemistry
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 | 162.19 g/mol | CAS Common Chemistry |
| 162.192 g/mol | RDKit | |
| 162.07931294 g/mol | RDKit | |
| Canonical SMILES | OC(C1=NC=2C=CC=CC2N1)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H10N2O/c1-6(12)9-10-7-4-2-3-5-8(7)11-9/h2-6,12H,1H3,(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=XZHWEHOSQYNGOL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 179-180 °C | CAS Common Chemistry |
| Name | α-Methyl-1H-benzimidazole-2-methanol | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 48.910000000000004 Ų | RDKit |
| LogP | 1.6161999999999996 | RDKit |
| Molar Refractivity | 46.72750000000002 | RDKit |
