1H-Imidazole-2-propanol, 5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1-(4-pyridinylmethyl)-, carbamate (ester)
Basic information
- CAS
178980-45-5- Standard SMILES
CC(C)c1nc(CCCOC(N)=O)n(Cc2ccncc2)c1Sc1cc(Cl)cc(Cl)c1- InChIKey
HSLYTOWFQCFODS-UHFFFAOYSA-N- Molecular formula
- C22H24Cl2N4O2S
- Average molar mass
- 479.4 g/mol
- Monoisotopic mass
- 478.0997026
Names & identifiers
- Preferred name
- 1H-Imidazole-2-propanol, 5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1-(4-pyridinylmethyl)-, carbamate (ester)
- IUPAC
- 3-[5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)imidazol-2-yl]propyl carbamate
Names & synonyms
178980-45-51H-Imidazole-2-propanol, 5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1-(4-pyridinylmethyl)-, carbamate (ester)3-(5-((3,5-Dichlorophenyl)thio)-4-isopropyl-1-(pyridin-4-ylmethyl)-1H-imidazol-2-yl)propyl carbamate1H-Imidazole-2-propanol, 5-[(3,5-dichlorophenyl)thio]-4-(1-methylethyl)-1-(4-pyridinylmethyl)-, carbamate (ester)SCHEMBL6971680DTXSID80170730HSLYTOWFQCFODS-UHFFFAOYSA-N2-(3-carbamoyloxypropyl)-5-(3,5-dichlorophenylthio)-4-isopropyl-1-(pyridin-4-yl)methyl-1H-imidazole3-[5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-1-(4-pyridylmethyl)imidazol-2-yl]propyl carbamate3-{5-[(3,5-Dichlorophenyl)sulfanyl]-4-(propan-2-yl)-1-[(pyridin-4-yl)methyl]-1H-imidazol-2-yl}propyl carbamate
Database identifiers
- CAS
178980-45-5- PubChem CID
- 474099
- DTXSID
DTXSID80170730
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 558
Related reactions
1 records
Compound notes
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