Back to Search
1H-Benzimidazole-2-Propanol
CAS: 2403-66-9 | C10H12N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2403-66-9
Molecular Formula:
C10H12N2O
Molecular Mass:
176.22 g/mol
Names and Synonyms:
1H-Benzimidazole-2-Propanol
1H-Benzimidazole-2-propanol
2-Benzimidazolepropanol
2-(γ-Hydroxypropyl)benzimidazole
3-(1H-Benzimidazol-2-yl)propan-1-ol
NSC 62090
2-(3′-Hydroxypropyl)benzimidazole
2-(3-Hydroxypropyl)benzimidazole
3-(Benzimidazol-2-yl)propan-1-ol
Identifiers:
SMILES:
OCCCc1nc2ccccc2[nH]1
InChI:
InChI=1S/C10H12N2O/c13-7-3-6-10-11-8-4-1-2-5-9(8)12-10/h1-2,4-5,13H,3,6-7H2,(H,11,12)
Key Properties
Melting Point
163 °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 | 176.22 g/mol | CAS Common Chemistry |
| 176.21900000000002 g/mol | RDKit | |
| 176.094963004 g/mol | RDKit | |
| Canonical SMILES | OCCCC1=NC=2C=CC=CC2N1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H12N2O/c13-7-3-6-10-11-8-4-1-2-5-9(8)12-10/h1-2,4-5,13H,3,6-7H2,(H,11,12) | CAS Common Chemistry |
| InChI Key | InChIKey=CQFSGSFSOWEIGO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 163 °C | CAS Common Chemistry |
| Name | 1H-Benzimidazole-2-propanol | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 48.910000000000004 Ų | RDKit |
| LogP | 1.4877999999999998 | RDKit |
| Molar Refractivity | 51.500500000000024 | RDKit |
