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Molecule
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
Identifiers
CAS Registry Number
19018-24-7
SMILES
CC(O)c1nc2ccccc2[nH]1
InChI Key
XZHWEHOSQYNGOL-UHFFFAOYSA-N
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)
Names and Synonyms
- Α-Methyl-1H-Benzimidazole-2-Methanol Common Name
- 1H-Benzimidazole-2-methanol, α-methyl- Synonym
- 2-Benzimidazolemethanol, α-methyl- Synonym
- α-Methyl-1H-benzimidazole-2-methanol Synonym
- 2-(1′-Hydroxyethyl)benzimidazole Synonym
- 2-(α-Hydroxyethyl)benzimidazole Synonym
- 2-(1-Hydroxyethyl)benzimidazole Synonym
- 1-(1H-Benzimidazol-2-yl)ethanol Synonym
- (±)-1-(1H-Benzimidazol-2-yl)ethanol Synonym
- 1-(1H-Benzo[d]imidazol-2-yl)ethanol Synonym
- 1-(1H-1,3-Benzodiazol-2-yl)ethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 162.19 g/mol | CAS Common Chemistry |
| 162.192 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 |
| 48.91 Ų | RDKit | |
| 44.62 Ų | chempirical lib | |
| LogP | 1.6161999999999996 | RDKit |
| 1.6162 | RDKit | |
| Molar Refractivity | 46.72750000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2222 | RDKit |
| 0.22 | chempirical lib | |
| Exact Mass | 162.07931294 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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| Shift (ppm) | DEPT | Assignment |
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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 = 162.19 g/mol. Edit any field — others recompute live.
