bis(2-tert-butyl-6-chloro-1H-benzimidazole);bis(2-tert-butyl-5-chloro-6-fluoro-1H-benzimidazole);tris(2-tert-butyl-6-methyl-1H-benzimidazole);bis(2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole)

C106H128Cl4F8N18 — CID 158499624

About bis(2-tert-butyl-6-chloro-1H-benzimidazole);bis(2-tert-butyl-5-chloro-6-fluoro-1H-benzimidazole);tris(2-tert-butyl-6-methyl-1H-benzimidazole);bis(2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole)

bis(2-tert-butyl-6-chloro-1H-benzimidazole);bis(2-tert-butyl-5-chloro-6-fluoro-1H-benzimidazole);tris(2-tert-butyl-6-methyl-1H-benzimidazole);bis(2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole) (PubChem CID 158499624) has the molecular formula C106H128Cl4F8N18 and a molecular weight of 1948.11 g/mol. Its IUPAC name is bis(2-tert-butyl-6-chloro-1H-benzimidazole);bis(2-tert-butyl-5-chloro-6-fluoro-1H-benzimidazole);tris(2-tert-butyl-6-methyl-1H-benzimidazole);bis(2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole).

Molecular Properties

• Compound Name: bis(2-tert-butyl-6-chloro-1H-benzimidazole);bis(2-tert-butyl-5-chloro-6-fluoro-1H-benzimidazole);tris(2-tert-butyl-6-methyl-1H-benzimidazole);bis(2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole)
• PubChem CID: 158499624
• Molecular Formula: C106H128Cl4F8N18
• Molecular Weight: 1948.11 g/mol
• Exact Mass: 1944.92
• IUPAC Name: bis(2-tert-butyl-6-chloro-1H-benzimidazole);bis(2-tert-butyl-5-chloro-6-fluoro-1H-benzimidazole);tris(2-tert-butyl-6-methyl-1H-benzimidazole);bis(2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole)
• SMILES: CC(C)(C)c1nc2cc(Cl)c(F)cc2[nH]1.CC(C)(C)c1nc2cc(Cl)c(F)cc2[nH]1.CC(C)(C)c1nc2ccc(Cl)cc2[nH]1.CC(C)(C)c1nc2ccc(Cl)cc2[nH]1.Cc1cc(C(F)(F)F)c2nc(C(C)(C)C)[nH]c2c1.Cc1cc(C(F)(F)F)c2nc(C(C)(C)C)[nH]c2c1.Cc1ccc2nc(C(C)(C)C)[nH]c2c1.Cc1ccc2nc(C(C)(C)C)[nH]c2c1.Cc1ccc2nc(C(C)(C)C)[nH]c2c1
• InChI: InChI=1S/2C13H15F3N2.3C12H16N2.2C11H12ClFN2.2C11H13ClN2/c2*1-7-5-8(13(14,15)16)10-9(6-7)17-11(18-10)12(2,3)4;3*1-8-5-6-9-10(7-8)14-11(13-9)12(2,3)4;2*1-11(2,3)10-14-8-4-6(12)7(13)5-9(8)15-10;2*1-11(2,3)10-13-8-5-4-7(12)6-9(8)14-10/h2*5-6H,1-4H3,(H,17,18);3*5-7H,1-4H3,(H,13,14);2*4-5H,1-3H3,(H,14,15);2*4-6H,1-3H3,(H,13,14)
• InChIKey: HJSOQCHWTHQOFW-UHFFFAOYSA-N
• XLogP: 32.22
• TPSA: 258.12 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 9
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1948.11
LogP ≤ 5	32.22
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of bis(2-tert-butyl-6-chloro-1H-benzimidazole);bis(2-tert-butyl-5-chloro-6-fluoro-1H-benzimidazole);tris(2-tert-butyl-6-methyl-1H-benzimidazole);bis(2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole)?

The IUPAC name of bis(2-tert-butyl-6-chloro-1H-benzimidazole);bis(2-tert-butyl-5-chloro-6-fluoro-1H-benzimidazole);tris(2-tert-butyl-6-methyl-1H-benzimidazole);bis(2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole) (CID 158499624) is bis(2-tert-butyl-6-chloro-1H-benzimidazole);bis(2-tert-butyl-5-chloro-6-fluoro-1H-benzimidazole);tris(2-tert-butyl-6-methyl-1H-benzimidazole);bis(2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole).

What is the SMILES notation for bis(2-tert-butyl-6-chloro-1H-benzimidazole);bis(2-tert-butyl-5-chloro-6-fluoro-1H-benzimidazole);tris(2-tert-butyl-6-methyl-1H-benzimidazole);bis(2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole)?

The canonical SMILES for bis(2-tert-butyl-6-chloro-1H-benzimidazole);bis(2-tert-butyl-5-chloro-6-fluoro-1H-benzimidazole);tris(2-tert-butyl-6-methyl-1H-benzimidazole);bis(2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole) is CC(C)(C)c1nc2cc(Cl)c(F)cc2[nH]1.CC(C)(C)c1nc2cc(Cl)c(F)cc2[nH]1.CC(C)(C)c1nc2ccc(Cl)cc2[nH]1.CC(C)(C)c1nc2ccc(Cl)cc2[nH]1.Cc1cc(C(F)(F)F)c2nc(C(C)(C)C)[nH]c2c1.Cc1cc(C(F)(F)F)c2nc(C(C)(C)C)[nH]c2c1.Cc1ccc2nc(C(C)(C)C)[nH]c2c1.Cc1ccc2nc(C(C)(C)C)[nH]c2c1.Cc1ccc2nc(C(C)(C)C)[nH]c2c1.

What is the InChIKey of bis(2-tert-butyl-6-chloro-1H-benzimidazole);bis(2-tert-butyl-5-chloro-6-fluoro-1H-benzimidazole);tris(2-tert-butyl-6-methyl-1H-benzimidazole);bis(2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole)?

The InChIKey is HJSOQCHWTHQOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H15F3N2.3C12H16N2.2C11H12ClFN2.2C11H13ClN2/c2*1-7-5-8(13(14,15)16)10-9(6-7)17-11(18-10)12(2,3)4;3*1-8-5-6-9-10(7-8)14-11(13-9)12(2,3)4;2*1-11(2,3)10-14-8-4-6(12)7(13)5-9(8)15-10;2*1-11(2,3)10-13-8-5-4-7(12)6-9(8)14-10/h2*5-6H,1-4H3,(H,17,18);3*5-7H,1-4H3,(H,13,14);2*4-5H,1-3H3,(H,14,15);2*4-6H,1-3H3,(H,13,14).

What are the key properties of bis(2-tert-butyl-6-chloro-1H-benzimidazole);bis(2-tert-butyl-5-chloro-6-fluoro-1H-benzimidazole);tris(2-tert-butyl-6-methyl-1H-benzimidazole);bis(2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole)?

bis(2-tert-butyl-6-chloro-1H-benzimidazole);bis(2-tert-butyl-5-chloro-6-fluoro-1H-benzimidazole);tris(2-tert-butyl-6-methyl-1H-benzimidazole);bis(2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole) has a molecular weight of 1948.11 g/mol, XLogP of 32.22, 0 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-tert-butyl-6-chloro-1H-benzimidazole);bis(2-tert-butyl-5-chloro-6-fluoro-1H-benzimidazole);tris(2-tert-butyl-6-methyl-1H-benzimidazole);bis(2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole) is sourced from PubChem (CID 158499624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).