Ethyl 4-(4-chlorophenyl)-2-imidazolylcarbamate
Basic information
- CAS
41213-97-2- Standard SMILES
CCOC(=O)Nc1ncc(-c2ccc(Cl)cc2)[nH]1- InChIKey
UGNZTPXQMIFMMA-UHFFFAOYSA-N- Molecular formula
- C12H12ClN3O2
- Average molar mass
- 265.69 g/mol
- Monoisotopic mass
- 265.0618043
Names & identifiers
- Preferred name
- Ethyl 4-(4-chlorophenyl)-2-imidazolylcarbamate
- IUPAC
- ethyl N-[5-(4-chlorophenyl)-1H-imidazol-2-yl]carbamate
Names & synonyms
Ethyl 4-(4-chlorophenyl)-2-imidazolylcarbamateUNII-97A1VWG9FM41213-97-297A1VWG9FMEthyl (4-(4-chlorophenyl)-1H-imidazol-2-yl)carbamateDTXSID70194142CARBAMIC ACID, (4-(4-CHLOROPHENYL)-1H-IMIDAZOL-2-YL)-, ETHYL ESTERRefChem:138735DTXCID80116633Q27271998ethyl [5-(4-chlorophenyl)-1H-imidazol-2-yl]carbamate
Database identifiers
- CAS
41213-97-2- PubChem CID
- 38783
- DTXSID
DTXSID70194142- UNII
- 97A1VWG9FM
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 67 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 282
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Compound notes
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