4,5-bis(4-chlorophenyl)-2-[2-ethoxy-5-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole

C24H19Cl2F3N2O — CID 59792646

IUPAC4,5-bis(4-chlorophenyl)-2-[2-ethoxy-5-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole
SMILESCCOc1ccc(C(F)(F)F)cc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1
InChIInChI=1S/C24H19Cl2F3N2O/c1-2-32-20-12-7-16(24(27,28)29)13-19(20)23-30-21(14-3-8-17(25)9-4-14)22(31-23)15-5-10-18(26)11-6-15/h3-13,21-22H,2H2,1H3,(H,30,31)
InChIKeyYUWLEORZYZXVLN-UHFFFAOYSA-N
MW479.33 g/mol
LogP7.24
Rot. Bonds5

About 4,5-bis(4-chlorophenyl)-2-[2-ethoxy-5-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole

4,5-bis(4-chlorophenyl)-2-[2-ethoxy-5-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole (PubChem CID 59792646) has the molecular formula C24H19Cl2F3N2O and a molecular weight of 479.33 g/mol. Its IUPAC name is 4,5-bis(4-chlorophenyl)-2-[2-ethoxy-5-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name4,5-bis(4-chlorophenyl)-2-[2-ethoxy-5-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole
PubChem CID59792646
Molecular FormulaC24H19Cl2F3N2O
Molecular Weight479.33 g/mol
Exact Mass478.08
IUPAC Name4,5-bis(4-chlorophenyl)-2-[2-ethoxy-5-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole
SMILESCCOc1ccc(C(F)(F)F)cc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1
InChIInChI=1S/C24H19Cl2F3N2O/c1-2-32-20-12-7-16(24(27,28)29)13-19(20)23-30-21(14-3-8-17(25)9-4-14)22(31-23)15-5-10-18(26)11-6-15/h3-13,21-22H,2H2,1H3,(H,30,31)
InChIKeyYUWLEORZYZXVLN-UHFFFAOYSA-N
XLogP7.24
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.33
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-chlorophenyl)-2-[2-ethoxy-5-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 4,5-bis(4-chlorophenyl)-2-[2-ethoxy-5-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole (CID 59792646) is 4,5-bis(4-chlorophenyl)-2-[2-ethoxy-5-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 4,5-bis(4-chlorophenyl)-2-[2-ethoxy-5-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 4,5-bis(4-chlorophenyl)-2-[2-ethoxy-5-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole is CCOc1ccc(C(F)(F)F)cc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1.
What is the InChIKey of 4,5-bis(4-chlorophenyl)-2-[2-ethoxy-5-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is YUWLEORZYZXVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2F3N2O/c1-2-32-20-12-7-16(24(27,28)29)13-19(20)23-30-21(14-3-8-17(25)9-4-14)22(31-23)15-5-10-18(26)11-6-15/h3-13,21-22H,2H2,1H3,(H,30,31).
What are the key properties of 4,5-bis(4-chlorophenyl)-2-[2-ethoxy-5-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole?
4,5-bis(4-chlorophenyl)-2-[2-ethoxy-5-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 479.33 g/mol, XLogP of 7.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-chlorophenyl)-2-[2-ethoxy-5-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 59792646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).