- InChI
- InChI=1S/C7H7N3O/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,8H2,(H2,9,10,11)
- InChI Key
- BCXSVFBDMPSKPT-UHFFFAOYSA-N
- Formula
- C7H7N3O
- SMILES
- Nc1ccc2[nH]c(=O)[nH]c2c1
- Molecular Weight1
- 149.15
- CAS
- 95-23-8
- Other Names
-
- 2H-Benzimidazol-2-one, 5-amino-1,3-dihydro-
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -3337.00 ± 0.65 | kJ/mol | NIST |
| ΔfH°solid | -418.00 ± 0.65 | kJ/mol | NIST |
| log10WS | -0.77 | Crippen Calculated Property | |
| logPoct/wat | -0.525 | Crippen Calculated Property | |
| McVol | 106.380 | ml/mol | McGowan Calculated Property |
Similar Compounds
Find more compounds similar to 5-amino-1,3-dihydro-2H-benzimidazol-2-one.
Sources
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