2-butan-2-yl-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3,4-oxadiazole

C23H21Cl3N4O — CID 24994325

IUPAC2-butan-2-yl-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3,4-oxadiazole
SMILESCCc1c(-c2nnc(C(C)CC)o2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C23H21Cl3N4O/c1-4-13(3)22-28-29-23(31-22)20-19(5-2)30(16-9-6-14(24)7-10-16)21(27-20)17-11-8-15(25)12-18(17)26/h6-13H,4-5H2,1-3H3
InChIKeyVVZQWZAOSCWMLW-UHFFFAOYSA-N
MW475.81 g/mol
LogP7.63
Rot. Bonds6

About 2-butan-2-yl-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3,4-oxadiazole

2-butan-2-yl-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3,4-oxadiazole (PubChem CID 24994325) has the molecular formula C23H21Cl3N4O and a molecular weight of 475.81 g/mol. Its IUPAC name is 2-butan-2-yl-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-butan-2-yl-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3,4-oxadiazole
PubChem CID24994325
Molecular FormulaC23H21Cl3N4O
Molecular Weight475.81 g/mol
Exact Mass474.08
IUPAC Name2-butan-2-yl-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3,4-oxadiazole
SMILESCCc1c(-c2nnc(C(C)CC)o2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C23H21Cl3N4O/c1-4-13(3)22-28-29-23(31-22)20-19(5-2)30(16-9-6-14(24)7-10-16)21(27-20)17-11-8-15(25)12-18(17)26/h6-13H,4-5H2,1-3H3
InChIKeyVVZQWZAOSCWMLW-UHFFFAOYSA-N
XLogP7.63
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.81
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-5-hexan-2-yl-1,3,4-oxadiazole
CID 24994323
2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-pentan-3-yl-1,3,4-oxadiazole
CID 24994021
4-tert-butyl-2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3-oxazole
CID 59786164
2-tert-butyl-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3-oxazole
CID 69190558
2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole
CID 24994958
2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-(2-methylpropyl)-1,3,4-thiadiazole
CID 44570185
2-[1-(4-chlorophenyl)cyclopropyl]-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(1,2,4-triazol-1-ylmethyl)imidazol-4-yl]-1,3,4-oxadiazole
CID 59786162
2-[1-(4-chlorophenyl)-5-ethyl-2-(2-methylphenyl)imidazol-4-yl]-5-[1-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazole
CID 162584902
4-tert-butyl-2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3-oxazolidine
CID 71064044
2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-cyclohexyl-1,3,4-oxadiazole
CID 24994326
2-(2,4-dichlorophenyl)-5-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-1,3,4-oxadiazole
CID 7171213
2-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1-(4-hydroxyphenyl)imidazole-4-carboxamide
CID 143249945

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-butan-2-yl-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3,4-oxadiazole (CID 24994325) is 2-butan-2-yl-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-butan-2-yl-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-butan-2-yl-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3,4-oxadiazole is CCc1c(-c2nnc(C(C)CC)o2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1.
What is the InChIKey of 2-butan-2-yl-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3,4-oxadiazole?
The InChIKey is VVZQWZAOSCWMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl3N4O/c1-4-13(3)22-28-29-23(31-22)20-19(5-2)30(16-9-6-14(24)7-10-16)21(27-20)17-11-8-15(25)12-18(17)26/h6-13H,4-5H2,1-3H3.
What are the key properties of 2-butan-2-yl-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3,4-oxadiazole?
2-butan-2-yl-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3,4-oxadiazole has a molecular weight of 475.81 g/mol, XLogP of 7.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 24994325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).