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2-(2-Aminophenyl)Benzimidazole
CAS: 5805-39-0 | C13H11N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5805-39-0
Molecular Formula:
C13H11N3
Molecular Mass:
209.25 g/mol
Names and Synonyms:
2-(2-Aminophenyl)Benzimidazole
Benzenamine, 2-(1H-benzimidazol-2-yl)-
Benzimidazole, 2-(o-aminophenyl)-
2-(1H-Benzimidazol-2-yl)benzenamine
2-(o-Aminophenyl)benzimidazole
2-(2-Aminophenyl)benzimidazole
G 620
G 620 (amine)
2-(2-Aminophenyl)-1H-benzimidazole
2-[Benzimidazol-2-yl]benzenamine
2-(1H-Benzimidazol-2-yl)aniline
2-(1H-1,3-Benzodiazol-2-yl)aniline
2-(1H-Benzoimidazol-2-yl)-phenylamine
Identifiers:
SMILES:
Nc1ccccc1-c1nc2ccccc2[nH]1
InChI:
InChI=1S/C13H11N3/c14-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13/h1-8H,14H2,(H,15,16)
Key Properties
Melting Point
213-214 °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 | 209.25 g/mol | CAS Common Chemistry |
| 209.25200000000004 g/mol | RDKit | |
| 209.095297352 g/mol | RDKit | |
| Canonical SMILES | N=1C=2C=CC=CC2NC1C=3C=CC=CC3N | CAS Common Chemistry |
| InChI | InChI=1S/C13H11N3/c14-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13/h1-8H,14H2,(H,15,16) | CAS Common Chemistry |
| InChI Key | InChIKey=YWNXHTNWOQHFRL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 213-214 °C | CAS Common Chemistry |
| Name | 2-(2-Aminophenyl)benzimidazole | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 54.699999999999996 Ų | RDKit |
| LogP | 2.8121 | RDKit |
| Molar Refractivity | 65.94210000000002 | RDKit |
