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Molecule
2-(2-Aminophenyl)Benzimidazole
CAS: 5805-39-0 · C13H11N3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5805-39-0
- Molecular Formula
- C13H11N3
- Molecular Mass
- 209.25 g/mol
Identifiers
CAS Registry Number
5805-39-0
SMILES
Nc1ccccc1-c1nc2ccccc2[nH]1
InChI Key
YWNXHTNWOQHFRL-UHFFFAOYSA-N
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)
Names and Synonyms
- 2-(2-Aminophenyl)Benzimidazole Systematic Name
- Benzenamine, 2-(1H-benzimidazol-2-yl)- Synonym
- Benzimidazole, 2-(o-aminophenyl)- Synonym
- 2-(1H-Benzimidazol-2-yl)benzenamine Synonym
- 2-(o-Aminophenyl)benzimidazole Synonym
- 2-(2-Aminophenyl)benzimidazole Synonym
- G 620 Synonym
- G 620 (amine) Synonym
- 2-(2-Aminophenyl)-1H-benzimidazole Synonym
- 2-[Benzimidazol-2-yl]benzenamine Synonym
- 2-(1H-Benzimidazol-2-yl)aniline Synonym
- 2-(1H-1,3-Benzodiazol-2-yl)aniline Synonym
- 2-(1H-Benzoimidazol-2-yl)-phenylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 209.25 g/mol | CAS Common Chemistry |
| 209.25200000000004 g/mol | RDKit | |
| 209.252 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 |
| 54.7 Ų | RDKit | |
| 50.41 Ų | chempirical lib | |
| LogP | 2.8121 | RDKit |
| Molar Refractivity | 65.94210000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 209.095297352 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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 = 209.25 g/mol. Edit any field — others recompute live.
