Back to Search
Molecule
2-Benzimidazolinone
CAS: 615-16-7 · C7H6N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 615-16-7
- Molecular Formula
- C7H6N2O
- Molecular Mass
- 134.14 g/mol
Identifiers
CAS Registry Number
615-16-7
SMILES
Oc1nc2ccccc2[nH]1
InChI Key
SILNNFMWIMZVEQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N2O/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H2,8,9,10)
Names and Synonyms
- 2-Benzimidazolinone Systematic Name
- 2H-Benzimidazol-2-one, 1,3-dihydro- Synonym
- 2-Benzimidazolinone Synonym
- 1,3-Dihydro-2H-benzimidazol-2-one Synonym
- o-Phenyleneurea Synonym
- Urea, N,N′-(1,2-phenylene)- Synonym
- N,N′-(1,2-Phenyleneurea) Synonym
- 1,3-Dihydro-2H-benzimidazole-2-one Synonym
- 2-Benzimidazolol Synonym
- 2-Hydroxybenzimidazole Synonym
- 2(3H)-Benzimidazolone Synonym
- 2-Benzimidazolone Synonym
- 2(3H)-Oxobenzimidazole Synonym
- 2,3-Dihydro-2-oxo-1H-benzimidazole Synonym
- NSC 10383 Synonym
- NSC 178108 Synonym
- 1,3-Dihydrobenzimidazol-2-one Synonym
- 1H-Benzimidazol-2(3H)-one Synonym
- 1H-Benzo[d]imidazol-2(3H)-one Synonym
- 1,3-Dihydro-2H-benzo[d]imidazol-2-one Synonym
- 1H-1,3-Benzodiazol-2-ol Synonym
- 1H-Benzoimidazol-2-ol Synonym
- 1,3-Dihydro-benzoimidazol-2-one Synonym
- 2,3-Dihydro-1H-1,3-benzodiazol-2-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 134.14 g/mol | CAS Common Chemistry |
| 134.13799999999998 g/mol | RDKit | |
| 134.138 g/mol | RDKit | |
| Canonical SMILES | O=C1NC=2C=CC=CC2N1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H6N2O/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H2,8,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=SILNNFMWIMZVEQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | >300 °C | CAS Common Chemistry |
| Name | 2-Benzimidazolinone | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 48.910000000000004 Ų | RDKit |
| 48.91 Ų | RDKit | |
| 44.62 Ų | chempirical lib | |
| LogP | 1.2684999999999997 | RDKit |
| 1.2685 | RDKit | |
| Molar Refractivity | 37.75850000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 134.048012812 g/mol | RDKit |
| Boiling Point | 185-190 °C @ 0.01 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 134.14 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H6N2O.
