2-[1-(4-chlorophenyl)-5-ethyl-2-(2-methylphenyl)imidazol-4-yl]-5-[1-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazole

C25H22ClF3N4O — CID 162584902

IUPAC2-[1-(4-chlorophenyl)-5-ethyl-2-(2-methylphenyl)imidazol-4-yl]-5-[1-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazole
SMILESCCc1c(-c2nnc(C3(C(F)(F)F)CCC3)o2)nc(-c2ccccc2C)n1-c1ccc(Cl)cc1
InChIInChI=1S/C25H22ClF3N4O/c1-3-19-20(22-31-32-23(34-22)24(13-6-14-24)25(27,28)29)30-21(18-8-5-4-7-15(18)2)33(19)17-11-9-16(26)10-12-17/h4-5,7-12H,3,6,13-14H2,1-2H3
InChIKeyXQIBZFLWYZCHIX-UHFFFAOYSA-N
MW486.93 g/mol
LogP7.10
Rot. Bonds5

About 2-[1-(4-chlorophenyl)-5-ethyl-2-(2-methylphenyl)imidazol-4-yl]-5-[1-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazole

2-[1-(4-chlorophenyl)-5-ethyl-2-(2-methylphenyl)imidazol-4-yl]-5-[1-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazole (PubChem CID 162584902) has the molecular formula C25H22ClF3N4O and a molecular weight of 486.93 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)-5-ethyl-2-(2-methylphenyl)imidazol-4-yl]-5-[1-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)-5-ethyl-2-(2-methylphenyl)imidazol-4-yl]-5-[1-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazole
PubChem CID162584902
Molecular FormulaC25H22ClF3N4O
Molecular Weight486.93 g/mol
Exact Mass486.14
IUPAC Name2-[1-(4-chlorophenyl)-5-ethyl-2-(2-methylphenyl)imidazol-4-yl]-5-[1-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazole
SMILESCCc1c(-c2nnc(C3(C(F)(F)F)CCC3)o2)nc(-c2ccccc2C)n1-c1ccc(Cl)cc1
InChIInChI=1S/C25H22ClF3N4O/c1-3-19-20(22-31-32-23(34-22)24(13-6-14-24)25(27,28)29)30-21(18-8-5-4-7-15(18)2)33(19)17-11-9-16(26)10-12-17/h4-5,7-12H,3,6,13-14H2,1-2H3
InChIKeyXQIBZFLWYZCHIX-UHFFFAOYSA-N
XLogP7.10
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.93
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)-5-ethyl-2-(2-methylphenyl)imidazol-4-yl]-5-[1-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(4-chlorophenyl)-5-ethyl-2-(2-methylphenyl)imidazol-4-yl]-5-[1-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazole (CID 162584902) is 2-[1-(4-chlorophenyl)-5-ethyl-2-(2-methylphenyl)imidazol-4-yl]-5-[1-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(4-chlorophenyl)-5-ethyl-2-(2-methylphenyl)imidazol-4-yl]-5-[1-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(4-chlorophenyl)-5-ethyl-2-(2-methylphenyl)imidazol-4-yl]-5-[1-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazole is CCc1c(-c2nnc(C3(C(F)(F)F)CCC3)o2)nc(-c2ccccc2C)n1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)-5-ethyl-2-(2-methylphenyl)imidazol-4-yl]-5-[1-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazole?
The InChIKey is XQIBZFLWYZCHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClF3N4O/c1-3-19-20(22-31-32-23(34-22)24(13-6-14-24)25(27,28)29)30-21(18-8-5-4-7-15(18)2)33(19)17-11-9-16(26)10-12-17/h4-5,7-12H,3,6,13-14H2,1-2H3.
What are the key properties of 2-[1-(4-chlorophenyl)-5-ethyl-2-(2-methylphenyl)imidazol-4-yl]-5-[1-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazole?
2-[1-(4-chlorophenyl)-5-ethyl-2-(2-methylphenyl)imidazol-4-yl]-5-[1-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazole has a molecular weight of 486.93 g/mol, XLogP of 7.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)-5-ethyl-2-(2-methylphenyl)imidazol-4-yl]-5-[1-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazole is sourced from PubChem (CID 162584902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).