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

C25H25Cl3N4O — CID 24994323

IUPAC2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-5-hexan-2-yl-1,3,4-oxadiazole
SMILESCCCCC(C)c1nnc(-c2nc(-c3ccc(Cl)cc3Cl)n(-c3ccc(Cl)cc3)c2CC)o1
InChIInChI=1S/C25H25Cl3N4O/c1-4-6-7-15(3)24-30-31-25(33-24)22-21(5-2)32(18-11-8-16(26)9-12-18)23(29-22)19-13-10-17(27)14-20(19)28/h8-15H,4-7H2,1-3H3
InChIKeyLGPQRQIDKYFZLV-UHFFFAOYSA-N
MW503.86 g/mol
LogP8.41
Rot. Bonds8

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

2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-5-hexan-2-yl-1,3,4-oxadiazole (PubChem CID 24994323) has the molecular formula C25H25Cl3N4O and a molecular weight of 503.86 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-5-hexan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-5-hexan-2-yl-1,3,4-oxadiazole
PubChem CID24994323
Molecular FormulaC25H25Cl3N4O
Molecular Weight503.86 g/mol
Exact Mass502.11
IUPAC Name2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-5-hexan-2-yl-1,3,4-oxadiazole
SMILESCCCCC(C)c1nnc(-c2nc(-c3ccc(Cl)cc3Cl)n(-c3ccc(Cl)cc3)c2CC)o1
InChIInChI=1S/C25H25Cl3N4O/c1-4-6-7-15(3)24-30-31-25(33-24)22-21(5-2)32(18-11-8-16(26)9-12-18)23(29-22)19-13-10-17(27)14-20(19)28/h8-15H,4-7H2,1-3H3
InChIKeyLGPQRQIDKYFZLV-UHFFFAOYSA-N
XLogP8.41
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.86
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-butan-2-yl-5-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3,4-oxadiazole
CID 24994325
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-[5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazol-3-yl]-5-hexan-2-yl-1,3,4-oxadiazole
CID 66844198
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
4-tert-butyl-2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3-oxazolidine
CID 71064044
2-[1-(4-chlorophenyl)-5-ethyl-2-(2-methylphenyl)imidazol-4-yl]-5-[1-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazole
CID 162584902
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

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-5-hexan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-5-hexan-2-yl-1,3,4-oxadiazole (CID 24994323) is 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-5-hexan-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-5-hexan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-5-hexan-2-yl-1,3,4-oxadiazole is CCCCC(C)c1nnc(-c2nc(-c3ccc(Cl)cc3Cl)n(-c3ccc(Cl)cc3)c2CC)o1.
What is the InChIKey of 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-5-hexan-2-yl-1,3,4-oxadiazole?
The InChIKey is LGPQRQIDKYFZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl3N4O/c1-4-6-7-15(3)24-30-31-25(33-24)22-21(5-2)32(18-11-8-16(26)9-12-18)23(29-22)19-13-10-17(27)14-20(19)28/h8-15H,4-7H2,1-3H3.
What are the key properties of 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-5-hexan-2-yl-1,3,4-oxadiazole?
2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-5-hexan-2-yl-1,3,4-oxadiazole has a molecular weight of 503.86 g/mol, XLogP of 8.41, 8 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-ethylimidazol-4-yl]-5-hexan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 24994323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).