2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-[1-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazole

C23H16Cl3F3N4O — CID 24992089

IUPAC2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-[1-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazole
SMILESCc1c(-c2nnc(C3(C(F)(F)F)CCC3)o2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C23H16Cl3F3N4O/c1-12-18(20-31-32-21(34-20)22(9-2-10-22)23(27,28)29)30-19(16-8-5-14(25)11-17(16)26)33(12)15-6-3-13(24)4-7-15/h3-8,11H,2,9-10H2,1H3
InChIKeyURNQLWKYYRLUDK-UHFFFAOYSA-N
MW527.76 g/mol
LogP7.84
Rot. Bonds4

About 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-[1-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazole

2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-[1-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazole (PubChem CID 24992089) has the molecular formula C23H16Cl3F3N4O and a molecular weight of 527.76 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-[1-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-[1-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazole
PubChem CID24992089
Molecular FormulaC23H16Cl3F3N4O
Molecular Weight527.76 g/mol
Exact Mass526.03
IUPAC Name2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-[1-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazole
SMILESCc1c(-c2nnc(C3(C(F)(F)F)CCC3)o2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C23H16Cl3F3N4O/c1-12-18(20-31-32-21(34-20)22(9-2-10-22)23(27,28)29)30-19(16-8-5-14(25)11-17(16)26)33(12)15-6-3-13(24)4-7-15/h3-8,11H,2,9-10H2,1H3
InChIKeyURNQLWKYYRLUDK-UHFFFAOYSA-N
XLogP7.84
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.76
LogP ≤ 57.84
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)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-[1-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-[1-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazole (CID 24992089) is 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-[1-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-[1-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-[1-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazole is Cc1c(-c2nnc(C3(C(F)(F)F)CCC3)o2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-[1-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazole?
The InChIKey is URNQLWKYYRLUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl3F3N4O/c1-12-18(20-31-32-21(34-20)22(9-2-10-22)23(27,28)29)30-19(16-8-5-14(25)11-17(16)26)33(12)15-6-3-13(24)4-7-15/h3-8,11H,2,9-10H2,1H3.
What are the key properties of 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-[1-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazole?
2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-[1-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazole has a molecular weight of 527.76 g/mol, XLogP of 7.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-[1-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazole is sourced from PubChem (CID 24992089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).