2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethylimidazol-4-yl]-5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazole

C23H17BrClF3N4O — CID 24996545

IUPAC2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethylimidazol-4-yl]-5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazole
SMILESCCc1c(-c2nnc(C3(C(F)(F)F)CC3)o2)nc(-c2ccccc2Cl)n1-c1ccc(Br)cc1
InChIInChI=1S/C23H17BrClF3N4O/c1-2-17-18(20-30-31-21(33-20)22(11-12-22)23(26,27)28)29-19(15-5-3-4-6-16(15)25)32(17)14-9-7-13(24)8-10-14/h3-10H,2,11-12H2,1H3
InChIKeyDTIXCNOVTXPTNN-UHFFFAOYSA-N
MW537.77 g/mol
LogP7.16
Rot. Bonds5

About 2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethylimidazol-4-yl]-5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazole

2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethylimidazol-4-yl]-5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazole (PubChem CID 24996545) has the molecular formula C23H17BrClF3N4O and a molecular weight of 537.77 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethylimidazol-4-yl]-5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethylimidazol-4-yl]-5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazole
PubChem CID24996545
Molecular FormulaC23H17BrClF3N4O
Molecular Weight537.77 g/mol
Exact Mass536.02
IUPAC Name2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethylimidazol-4-yl]-5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazole
SMILESCCc1c(-c2nnc(C3(C(F)(F)F)CC3)o2)nc(-c2ccccc2Cl)n1-c1ccc(Br)cc1
InChIInChI=1S/C23H17BrClF3N4O/c1-2-17-18(20-30-31-21(33-20)22(11-12-22)23(26,27)28)29-19(15-5-3-4-6-16(15)25)32(17)14-9-7-13(24)8-10-14/h3-10H,2,11-12H2,1H3
InChIKeyDTIXCNOVTXPTNN-UHFFFAOYSA-N
XLogP7.16
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.77
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethylimidazol-4-yl]-5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazole 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 2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethylimidazol-4-yl]-5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethylimidazol-4-yl]-5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazole (CID 24996545) is 2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethylimidazol-4-yl]-5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethylimidazol-4-yl]-5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethylimidazol-4-yl]-5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazole is CCc1c(-c2nnc(C3(C(F)(F)F)CC3)o2)nc(-c2ccccc2Cl)n1-c1ccc(Br)cc1.
What is the InChIKey of 2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethylimidazol-4-yl]-5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazole?
The InChIKey is DTIXCNOVTXPTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrClF3N4O/c1-2-17-18(20-30-31-21(33-20)22(11-12-22)23(26,27)28)29-19(15-5-3-4-6-16(15)25)32(17)14-9-7-13(24)8-10-14/h3-10H,2,11-12H2,1H3.
What are the key properties of 2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethylimidazol-4-yl]-5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazole?
2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethylimidazol-4-yl]-5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazole has a molecular weight of 537.77 g/mol, XLogP of 7.16, 5 rotatable bonds, 0 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-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazole is sourced from PubChem (CID 24996545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).