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

C22H20Cl2N4S — CID 44570482

IUPAC2-tert-butyl-5-[2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylimidazol-4-yl]-1,3,4-thiadiazole
SMILESCc1c(-c2nnc(C(C)(C)C)s2)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C22H20Cl2N4S/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
InChIKeySWYYIFXRWFOVHX-UHFFFAOYSA-N
MW443.40 g/mol
LogP6.97
Rot. Bonds3

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

2-tert-butyl-5-[2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylimidazol-4-yl]-1,3,4-thiadiazole (PubChem CID 44570482) has the molecular formula C22H20Cl2N4S and a molecular weight of 443.40 g/mol. Its IUPAC name is 2-tert-butyl-5-[2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylimidazol-4-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-tert-butyl-5-[2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylimidazol-4-yl]-1,3,4-thiadiazole
PubChem CID44570482
Molecular FormulaC22H20Cl2N4S
Molecular Weight443.40 g/mol
Exact Mass442.08
IUPAC Name2-tert-butyl-5-[2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylimidazol-4-yl]-1,3,4-thiadiazole
SMILESCc1c(-c2nnc(C(C)(C)C)s2)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C22H20Cl2N4S/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
InChIKeySWYYIFXRWFOVHX-UHFFFAOYSA-N
XLogP6.97
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.40
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-tert-butyl-5-[2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylimidazol-4-yl]-1,3,4-thiadiazole 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-tert-butyl-5-[2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylimidazol-4-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-tert-butyl-5-[2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylimidazol-4-yl]-1,3,4-thiadiazole (CID 44570482) is 2-tert-butyl-5-[2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylimidazol-4-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-tert-butyl-5-[2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylimidazol-4-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-tert-butyl-5-[2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylimidazol-4-yl]-1,3,4-thiadiazole is Cc1c(-c2nnc(C(C)(C)C)s2)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1.
What is the InChIKey of 2-tert-butyl-5-[2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylimidazol-4-yl]-1,3,4-thiadiazole?
The InChIKey is SWYYIFXRWFOVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N4S/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-tert-butyl-5-[2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylimidazol-4-yl]-1,3,4-thiadiazole?
2-tert-butyl-5-[2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylimidazol-4-yl]-1,3,4-thiadiazole has a molecular weight of 443.40 g/mol, XLogP of 6.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylimidazol-4-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 44570482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).