Basic information
- CAS
23571-34-8- Standard SMILES
CC(C)c1cnc([N+](=O)[O-])n1C- InChIKey
NOXMCEHYBLYCTK-UHFFFAOYSA-N- Molecular formula
- C7H11N3O2
- Average molar mass
- 169.18 g/mol
- Monoisotopic mass
- 169.0851266
Overview
structure
Names & identifiers
- Preferred name
- 5-Isopropyl-1-methyl-2-nitro-1H-imidazole
- IUPAC
- 1-methyl-2-nitro-5-propan-2-ylimidazole
- English name
- 5-Isopropyl-1-methyl-2-nitro-1H-imidazole
- Molecular formula
- C7H11N3O2
- Molecular weight
- 169.18
Names & synonyms
5-Isopropyl-1-methyl-2-nitro-1H-imidazole23571-34-81-Methyl-5-(1-methylethyl)-2-nitro-1H-imidazoleDTXSID00178197DL-3-47RefChem:102984DTXCID30100688DL-3471-methyl-2-nitro-5-propan-2-ylimidazoleDL 347L 63475-Isopropyl-1-methyl-2-nitroimidazole
Show more names
L-6347
BRN 05141021H-Imidazole, 1-methyl-5-(1-methylethyl)-2-nitro-Imidazole, 5-isopropyl-1-methyl-2-nitro-1-methyl-2-nitro-5-(propan-2-yl)-1H-imidazoleSCHEMBL2555693CHEMBL32749975-(1-methylethyl)-1-methyl-2-nitro-1h-imidazole
Database identifiers
- CAS
23571-34-8- PubChem CID
- 90175
- DTXSID
DTXSID00178197- ChEMBL
CHEMBL3274997- Nikkaji
- J19.931A
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 178
Experimental & physicochemical properties
LogP1.09
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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