1H-Imidazole, 4,5-bis(4-chlorophenyl)-4,5-dihydro-2-[4-methoxy-2-(1-methylethoxy)phenyl]-, (4R,5S)-rel-
Basic information
- CAS
548472-49-7- Standard SMILES
COc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N2)c(OC(C)C)c1- InChIKey
YRGSRFXZNYCJNK-PSWAGMNNSA-N- Molecular formula
- C25H24Cl2N2O2
- Average molar mass
- 455.4 g/mol
- Monoisotopic mass
- 454.1214834
Names & identifiers
- Preferred name
- 1H-Imidazole, 4,5-bis(4-chlorophenyl)-4,5-dihydro-2-[4-methoxy-2-(1-methylethoxy)phenyl]-, (4R,5S)-rel-
- IUPAC
- (4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazole
- English name
- 1H-IMidazole, 4,5-bis(4-chlorophenyl)-4,5-dihydro-2-[4-Methoxy-2-(1-Methylethoxy)phenyl]-, (4R,5S)-rel-
- Molecular formula
- C25H24Cl2N2O2
- Molecular weight
- 455.38
Names & synonyms
548472-49-7(4S,5R)-4,5-bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydro-1H-imidazole1H-Imidazole, 4,5-bis(4-chlorophenyl)-4,5-dihydro-2-[4-methoxy-2-(1-methylethoxy)phenyl]-, (4R,5S)-rel-(4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydro-1H-imidazoleC25H24Cl2N2O2SCHEMBL1156301SCHEMBL29380392YRGSRFXZNYCJNK-PSWAGMNNSA-NDTXSID601114557CS-B0038MFCD31694216AKOS037650020
Show more names
Cis-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazolerel-(4R,5S)-4,5-bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydro-1H-imidazole
CS-14096cis-4,5-Bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydro-1H-imidazolecis-4,5-Bis-(4-chloro-phenyl)-2-(2-isopropoxy-4-methoxy-phenyl)-4,5-dihydro-1H-imidazole(4S,5R)-4,5-bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxy-phenyl)-4,5-dihydro-1H-imidazole(4S,5R)-4,5-Bis(4-chlorophenyl)-2-{4-methoxy-2-[(propan-2-yl)oxy]phenyl}-4,5-dihydro-1H-imidazolerel-(4R,5S)-4,5-Bis(4-chlorophenyl)-4,5-dihydro-2-[4-methoxy-2-(1-methylethoxy)phenyl]-1H-imidazole
Database identifiers
- CAS
548472-49-7- PubChem CID
- 5288630
- DTXSID
DTXSID601114557
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 42.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 600
Physicochemical properties
- Boiling point
- 576 · 576.0±60.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 8.13 · 8.13±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
2 records
Compound notes
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