2-Carbamoyloxymethyl-5-(3,5-dichlorophenylthio)-4-isopropyl-1-(pyridin-2-yl)methyl-1H-imidazole
Basic information
- CAS
178979-84-5- Standard SMILES
CC(C)c1nc(COC(N)=O)n(Cc2ccccn2)c1Sc1cc(Cl)cc(Cl)c1- InChIKey
FKNRFZVOLHMQNP-UHFFFAOYSA-N- Molecular formula
- C20H20Cl2N4O2S
- Average molar mass
- 451.4 g/mol
- Monoisotopic mass
- 450.0684025
Names & identifiers
- Preferred name
- 2-Carbamoyloxymethyl-5-(3,5-dichlorophenylthio)-4-isopropyl-1-(pyridin-2-yl)methyl-1H-imidazole
- IUPAC
- [5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-2-ylmethyl)imidazol-2-yl]methyl carbamate
Names & synonyms
178979-84-52-Carbamoyloxymethyl-5-(3,5-dichlorophenylthio)-4-isopropyl-1-(pyridin-2-yl)methyl-1H-imidazole(5-((3,5-Dichlorophenyl)thio)-4-isopropyl-1-(pyridin-2-ylmethyl)-1H-imidazol-2-yl)methyl carbamateSCHEMBL6966022DTXSID70170688[5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-1-(2-pyridylmethyl)imidazol-2-yl]methyl carbamate{5-[(3,5-Dichlorophenyl)sulfanyl]-4-(propan-2-yl)-1-[(pyridin-2-yl)methyl]-1H-imidazol-2-yl}methyl carbamate
Database identifiers
- CAS
178979-84-5- PubChem CID
- 474002
- DTXSID
DTXSID70170688
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 535
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Compound notes
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