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

C22H20BrClN4O — CID 24996216

IUPAC2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-methylimidazol-4-yl]-5-tert-butyl-1,3,4-oxadiazole
SMILESCc1c(-c2nnc(C(C)(C)C)o2)nc(-c2ccccc2Cl)n1-c1ccc(Br)cc1
InChIInChI=1S/C22H20BrClN4O/c1-13-18(20-26-27-21(29-20)22(2,3)4)25-19(16-7-5-6-8-17(16)24)28(13)15-11-9-14(23)10-12-15/h5-12H,1-4H3
InChIKeySIDSHKNRFKURGS-UHFFFAOYSA-N
MW471.79 g/mol
LogP6.61
Rot. Bonds3

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

2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-methylimidazol-4-yl]-5-tert-butyl-1,3,4-oxadiazole (PubChem CID 24996216) has the molecular formula C22H20BrClN4O and a molecular weight of 471.79 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-methylimidazol-4-yl]-5-tert-butyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-methylimidazol-4-yl]-5-tert-butyl-1,3,4-oxadiazole
PubChem CID24996216
Molecular FormulaC22H20BrClN4O
Molecular Weight471.79 g/mol
Exact Mass470.05
IUPAC Name2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-methylimidazol-4-yl]-5-tert-butyl-1,3,4-oxadiazole
SMILESCc1c(-c2nnc(C(C)(C)C)o2)nc(-c2ccccc2Cl)n1-c1ccc(Br)cc1
InChIInChI=1S/C22H20BrClN4O/c1-13-18(20-26-27-21(29-20)22(2,3)4)25-19(16-7-5-6-8-17(16)24)28(13)15-11-9-14(23)10-12-15/h5-12H,1-4H3
InChIKeySIDSHKNRFKURGS-UHFFFAOYSA-N
XLogP6.61
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.79
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethylimidazol-4-yl]-5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-oxadiazole
CID 24996545
2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-cyclohexyl-1,3,4-oxadiazole
CID 24994326
2-tert-butyl-5-[2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylimidazol-4-yl]-1,3,4-thiadiazole
CID 44570482
2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-methylimidazol-4-yl]-5-[1-(4-chlorophenyl)cyclopropyl]-1,3,4-thiadiazole
CID 59786196
2-(2-bromophenyl)-5-tert-butyl-1,3,4-oxadiazole
CID 55028952
2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethylimidazol-4-yl]-5-tert-butyl-2,3-dihydro-1,3,4-oxadiazole
CID 145465774
2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-pentan-3-yl-1,3,4-oxadiazole
CID 24994021
2-[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-propylimidazol-4-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole
CID 24994958
2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-ethylimidazol-4-yl]-5-[1-(trifluoromethyl)cyclopropyl]-1,3,4-thiadiazole
CID 59786154
2-(4-bromophenyl)-5-(2-chlorophenyl)-1,3,4-oxadiazole
CID 687082
2-(6-bromonaphthalen-2-yl)-5-tert-butyl-1,3,4-oxadiazole
CID 115353901
2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-methylimidazol-4-yl]-5-[1-(trifluoromethyl)cyclopropyl]-2,3-dihydro-1,3,4-thiadiazole
CID 145465888

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-methylimidazol-4-yl]-5-tert-butyl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-methylimidazol-4-yl]-5-tert-butyl-1,3,4-oxadiazole (CID 24996216) is 2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-methylimidazol-4-yl]-5-tert-butyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-methylimidazol-4-yl]-5-tert-butyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-methylimidazol-4-yl]-5-tert-butyl-1,3,4-oxadiazole is Cc1c(-c2nnc(C(C)(C)C)o2)nc(-c2ccccc2Cl)n1-c1ccc(Br)cc1.
What is the InChIKey of 2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-methylimidazol-4-yl]-5-tert-butyl-1,3,4-oxadiazole?
The InChIKey is SIDSHKNRFKURGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrClN4O/c1-13-18(20-26-27-21(29-20)22(2,3)4)25-19(16-7-5-6-8-17(16)24)28(13)15-11-9-14(23)10-12-15/h5-12H,1-4H3.
What are the key properties of 2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-methylimidazol-4-yl]-5-tert-butyl-1,3,4-oxadiazole?
2-[1-(4-bromophenyl)-2-(2-chlorophenyl)-5-methylimidazol-4-yl]-5-tert-butyl-1,3,4-oxadiazole has a molecular weight of 471.79 g/mol, XLogP of 6.61, 3 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-methylimidazol-4-yl]-5-tert-butyl-1,3,4-oxadiazole is sourced from PubChem (CID 24996216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).