(4R,5S)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-imidazole

C24H19Cl2F3N2O2 — CID 59093201

IUPAC(4R,5S)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-imidazole
SMILESCOc1ccc(C2=N[C@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N2)c(OCC(F)(F)F)c1
InChIInChI=1S/C24H19Cl2F3N2O2/c1-32-18-10-11-19(20(12-18)33-13-24(27,28)29)23-30-21(14-2-6-16(25)7-3-14)22(31-23)15-4-8-17(26)9-5-15/h2-12,21-22H,13H2,1H3,(H,30,31)/t21-,22+
InChIKeyOAJLMCGDAQIDAR-SZPZYZBQSA-N
MW495.33 g/mol
LogP6.78
Rot. Bonds6

About (4R,5S)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-imidazole

(4R,5S)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-imidazole (PubChem CID 59093201) has the molecular formula C24H19Cl2F3N2O2 and a molecular weight of 495.33 g/mol. Its IUPAC name is (4R,5S)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4R,5S)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-imidazole
PubChem CID59093201
Molecular FormulaC24H19Cl2F3N2O2
Molecular Weight495.33 g/mol
Exact Mass494.08
IUPAC Name(4R,5S)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-imidazole
SMILESCOc1ccc(C2=N[C@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N2)c(OCC(F)(F)F)c1
InChIInChI=1S/C24H19Cl2F3N2O2/c1-32-18-10-11-19(20(12-18)33-13-24(27,28)29)23-30-21(14-2-6-16(25)7-3-14)22(31-23)15-4-8-17(26)9-5-15/h2-12,21-22H,13H2,1H3,(H,30,31)/t21-,22+
InChIKeyOAJLMCGDAQIDAR-SZPZYZBQSA-N
XLogP6.78
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.33
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of (4R,5S)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-imidazole (CID 59093201) is (4R,5S)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4R,5S)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4R,5S)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-imidazole is COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N2)c(OCC(F)(F)F)c1.
What is the InChIKey of (4R,5S)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is OAJLMCGDAQIDAR-SZPZYZBQSA-N. The full InChI is InChI=1S/C24H19Cl2F3N2O2/c1-32-18-10-11-19(20(12-18)33-13-24(27,28)29)23-30-21(14-2-6-16(25)7-3-14)22(31-23)15-4-8-17(26)9-5-15/h2-12,21-22H,13H2,1H3,(H,30,31)/t21-,22+.
What are the key properties of (4R,5S)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-imidazole?
(4R,5S)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 495.33 g/mol, XLogP of 6.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 59093201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).