2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethylimidazol-4-yl]-5-tert-butyl-2,3-dihydro-1,3,4-oxadiazole

C23H24BrClN4O — CID 145465774

IUPAC2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethylimidazol-4-yl]-5-tert-butyl-2,3-dihydro-1,3,4-oxadiazole
SMILESCCc1c(C2NN=C(C(C)(C)C)O2)nc(-c2ccccc2Cl)n1-c1ccc(Br)cc1
InChIInChI=1S/C23H24BrClN4O/c1-5-18-19(21-27-28-22(30-21)23(2,3)4)26-20(16-8-6-7-9-17(16)25)29(18)15-12-10-14(24)11-13-15/h6-13,21,27H,5H2,1-4H3
InChIKeyXLEBNZZZAJOODP-UHFFFAOYSA-N
MW487.83 g/mol
LogP6.50
Rot. Bonds4

About 2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethylimidazol-4-yl]-5-tert-butyl-2,3-dihydro-1,3,4-oxadiazole

2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethylimidazol-4-yl]-5-tert-butyl-2,3-dihydro-1,3,4-oxadiazole (PubChem CID 145465774) has the molecular formula C23H24BrClN4O and a molecular weight of 487.83 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethylimidazol-4-yl]-5-tert-butyl-2,3-dihydro-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethylimidazol-4-yl]-5-tert-butyl-2,3-dihydro-1,3,4-oxadiazole
PubChem CID145465774
Molecular FormulaC23H24BrClN4O
Molecular Weight487.83 g/mol
Exact Mass486.08
IUPAC Name2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethylimidazol-4-yl]-5-tert-butyl-2,3-dihydro-1,3,4-oxadiazole
SMILESCCc1c(C2NN=C(C(C)(C)C)O2)nc(-c2ccccc2Cl)n1-c1ccc(Br)cc1
InChIInChI=1S/C23H24BrClN4O/c1-5-18-19(21-27-28-22(30-21)23(2,3)4)26-20(16-8-6-7-9-17(16)25)29(18)15-12-10-14(24)11-13-15/h6-13,21,27H,5H2,1-4H3
InChIKeyXLEBNZZZAJOODP-UHFFFAOYSA-N
XLogP6.50
TPSA51.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.83
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethylimidazol-4-yl]-5-tert-butyl-2,3-dihydro-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethylimidazol-4-yl]-5-tert-butyl-2,3-dihydro-1,3,4-oxadiazole (CID 145465774) is 2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethylimidazol-4-yl]-5-tert-butyl-2,3-dihydro-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethylimidazol-4-yl]-5-tert-butyl-2,3-dihydro-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethylimidazol-4-yl]-5-tert-butyl-2,3-dihydro-1,3,4-oxadiazole is CCc1c(C2NN=C(C(C)(C)C)O2)nc(-c2ccccc2Cl)n1-c1ccc(Br)cc1.
What is the InChIKey of 2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethylimidazol-4-yl]-5-tert-butyl-2,3-dihydro-1,3,4-oxadiazole?
The InChIKey is XLEBNZZZAJOODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrClN4O/c1-5-18-19(21-27-28-22(30-21)23(2,3)4)26-20(16-8-6-7-9-17(16)25)29(18)15-12-10-14(24)11-13-15/h6-13,21,27H,5H2,1-4H3.
What are the key properties of 2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethylimidazol-4-yl]-5-tert-butyl-2,3-dihydro-1,3,4-oxadiazole?
2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethylimidazol-4-yl]-5-tert-butyl-2,3-dihydro-1,3,4-oxadiazole has a molecular weight of 487.83 g/mol, XLogP of 6.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethylimidazol-4-yl]-5-tert-butyl-2,3-dihydro-1,3,4-oxadiazole is sourced from PubChem (CID 145465774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).