2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide

C24H27N5OS — CID 84571513

About 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide

2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 84571513) has the molecular formula C24H27N5OS and a molecular weight of 433.58 g/mol. Its IUPAC name is 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
• PubChem CID: 84571513
• Molecular Formula: C24H27N5OS
• Molecular Weight: 433.58 g/mol
• Exact Mass: 433.19
• IUPAC Name: 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
• SMILES: CC(C)c1nnc(NC(=O)Cn2c(-c3ccc(C(C)(C)C)cc3)nc3ccccc32)s1
• InChI: InChI=1S/C24H27N5OS/c1-15(2)22-27-28-23(31-22)26-20(30)14-29-19-9-7-6-8-18(19)25-21(29)16-10-12-17(13-11-16)24(3,4)5/h6-13,15H,14H2,1-5H3,(H,26,28,30)
• InChIKey: UGJXRMDTZSFDDA-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.58
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?

The IUPAC name of 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 84571513) is 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.

What is the SMILES notation for 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?

The canonical SMILES for 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is CC(C)c1nnc(NC(=O)Cn2c(-c3ccc(C(C)(C)C)cc3)nc3ccccc32)s1.

What is the InChIKey of 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?

The InChIKey is UGJXRMDTZSFDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5OS/c1-15(2)22-27-28-23(31-22)26-20(30)14-29-19-9-7-6-8-18(19)25-21(29)16-10-12-17(13-11-16)24(3,4)5/h6-13,15H,14H2,1-5H3,(H,26,28,30).

What are the key properties of 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?

2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 433.58 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 84571513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).