4-tert-butyl-2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3-oxazolidine

C24H26Cl3N3O — CID 71064044

IUPAC4-tert-butyl-2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3-oxazolidine
SMILESCCc1c(C2NC(C(C)(C)C)CO2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C24H26Cl3N3O/c1-5-19-21(23-28-20(13-31-23)24(2,3)4)29-22(17-11-8-15(26)12-18(17)27)30(19)16-9-6-14(25)7-10-16/h6-12,20,23,28H,5,13H2,1-4H3
InChIKeyVOFUUZPRFMENCR-UHFFFAOYSA-N
MW478.85 g/mol
LogP7.09
Rot. Bonds4

About 4-tert-butyl-2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3-oxazolidine

4-tert-butyl-2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3-oxazolidine (PubChem CID 71064044) has the molecular formula C24H26Cl3N3O and a molecular weight of 478.85 g/mol. Its IUPAC name is 4-tert-butyl-2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3-oxazolidine.

Molecular Properties

Compound Name4-tert-butyl-2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3-oxazolidine
PubChem CID71064044
Molecular FormulaC24H26Cl3N3O
Molecular Weight478.85 g/mol
Exact Mass477.11
IUPAC Name4-tert-butyl-2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3-oxazolidine
SMILESCCc1c(C2NC(C(C)(C)C)CO2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C24H26Cl3N3O/c1-5-19-21(23-28-20(13-31-23)24(2,3)4)29-22(17-11-8-15(26)12-18(17)27)30(19)16-9-6-14(25)7-10-16/h6-12,20,23,28H,5,13H2,1-4H3
InChIKeyVOFUUZPRFMENCR-UHFFFAOYSA-N
XLogP7.09
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.85
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-tert-butyl-2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3-oxazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3-oxazolidine?
The IUPAC name of 4-tert-butyl-2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3-oxazolidine (CID 71064044) is 4-tert-butyl-2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3-oxazolidine.
What is the SMILES notation for 4-tert-butyl-2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3-oxazolidine?
The canonical SMILES for 4-tert-butyl-2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3-oxazolidine is CCc1c(C2NC(C(C)(C)C)CO2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1.
What is the InChIKey of 4-tert-butyl-2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3-oxazolidine?
The InChIKey is VOFUUZPRFMENCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl3N3O/c1-5-19-21(23-28-20(13-31-23)24(2,3)4)29-22(17-11-8-15(26)12-18(17)27)30(19)16-9-6-14(25)7-10-16/h6-12,20,23,28H,5,13H2,1-4H3.
What are the key properties of 4-tert-butyl-2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3-oxazolidine?
4-tert-butyl-2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3-oxazolidine has a molecular weight of 478.85 g/mol, XLogP of 7.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazol-4-yl]-1,3-oxazolidine is sourced from PubChem (CID 71064044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).