Imidazole | SBID = 1071 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 28.7 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -0.1 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 1.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 56.1 | ||
| Sum Formula: | C3H4N2 | ||
| M / g/mol: | 68.08 | ||
| Complexity: | 28.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: aromatic, typical guest
- Name: Imidazole
- Preferred Abbreviation: Imidazole
- IUPAC Name: 1H-imidazole
- CAS: 288-32-4
- CID: 795
- InChiKey: RAXXELZNTBOGNW-UHFFFAOYSA-N
- InChi: InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)
- CanoSmiles: C1=CN=CN1
- IsoSmiles: C1=CN=CN1
