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Molecule
2-Aminobenzimidazole
CAS: 934-32-7 · C7H7N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 934-32-7
- Molecular Formula
- C7H7N3
- Molecular Mass
- 133.15 g/mol
Identifiers
CAS Registry Number
934-32-7
SMILES
N=c1[nH]c2ccccc2[nH]1
InChI Key
JWYUFVNJZUSCSM-UHFFFAOYSA-N
InChI
InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10)
Names and Synonyms
- 2-Aminobenzimidazole Synonym
- 1H-Benzimidazol-2-amine Synonym
- Benzimidazole, 2-amino- Synonym
- 2-Aminobenzimidazole Synonym
- 2-Iminobenzimidazoline Synonym
- 2-Benzimidazolamine Synonym
- 2-AB Synonym
- 2-Amino-1H-benzimidazole Synonym
- 2-Benzimidazolylamine Synonym
- 1H-Benzimidazol-2-ylamine Synonym
- NSC 27793 Synonym
- NSC 7628 Synonym
- A 0850 Synonym
- 2-Aminobenzoimidazole Synonym
- 1H-1,3-Benzodiazol-2-amine Synonym
- 1H-Benzoimidazol-2-ylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 133.15 g/mol | CAS Common Chemistry |
| 133.15399999999997 g/mol | RDKit | |
| 133.154 g/mol | RDKit | |
| Canonical SMILES | N1=C(N)NC=2C=CC=CC12 | CAS Common Chemistry |
| InChI | InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=JWYUFVNJZUSCSM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 229-231 °C | CAS Common Chemistry |
| Name | 2-Aminobenzimidazole | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 55.43 Ų | RDKit |
| LogP | 0.9754700000000001 | RDKit |
| 0.9755 | RDKit | |
| Molar Refractivity | 38.50410000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 133.063997224 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
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40
20
0 ppm
| 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 = 133.15 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H7N3.
