bis(2-tert-butyl-6-chloro-1H-benzimidazole);bis(2-tert-butyl-5-chloro-6-fluoro-1H-benzimidazole);2-tert-butyl-4,6-difluoro-1H-benzimidazole;2-tert-butyl-4,6-dimethyl-1H-benzimidazole;tetrakis(2-tert-butyl-6-methyl-1H-benzimidazole);2-tert-butyl-4,5,6-trifluoro-1H-benzimidazole;2-tert-butyl-4-(trifluoromethyl)-1H-benzimidazole

C139H168Cl4F10N24 — CID 159434291

About bis(2-tert-butyl-6-chloro-1H-benzimidazole);bis(2-tert-butyl-5-chloro-6-fluoro-1H-benzimidazole);2-tert-butyl-4,6-difluoro-1H-benzimidazole;2-tert-butyl-4,6-dimethyl-1H-benzimidazole;tetrakis(2-tert-butyl-6-methyl-1H-benzimidazole);2-tert-butyl-4,5,6-trifluoro-1H-benzimidazole;2-tert-butyl-4-(trifluoromethyl)-1H-benzimidazole

bis(2-tert-butyl-6-chloro-1H-benzimidazole);bis(2-tert-butyl-5-chloro-6-fluoro-1H-benzimidazole);2-tert-butyl-4,6-difluoro-1H-benzimidazole;2-tert-butyl-4,6-dimethyl-1H-benzimidazole;tetrakis(2-tert-butyl-6-methyl-1H-benzimidazole);2-tert-butyl-4,5,6-trifluoro-1H-benzimidazole;2-tert-butyl-4-(trifluoromethyl)-1H-benzimidazole (PubChem CID 159434291) has the molecular formula C139H168Cl4F10N24 and a molecular weight of 2506.83 g/mol. Its IUPAC name is bis(2-tert-butyl-6-chloro-1H-benzimidazole);bis(2-tert-butyl-5-chloro-6-fluoro-1H-benzimidazole);2-tert-butyl-4,6-difluoro-1H-benzimidazole;2-tert-butyl-4,6-dimethyl-1H-benzimidazole;tetrakis(2-tert-butyl-6-methyl-1H-benzimidazole);2-tert-butyl-4,5,6-trifluoro-1H-benzimidazole;2-tert-butyl-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);2-tert-butyl-4,6-difluoro-1H-benzimidazole;2-tert-butyl-4,6-dimethyl-1H-benzimidazole;tetrakis(2-tert-butyl-6-methyl-1H-benzimidazole);2-tert-butyl-4,5,6-trifluoro-1H-benzimidazole;2-tert-butyl-4-(trifluoromethyl)-1H-benzimidazole
• PubChem CID: 159434291
• Molecular Formula: C139H168Cl4F10N24
• Molecular Weight: 2506.83 g/mol
• Exact Mass: 2503.25
• IUPAC Name: bis(2-tert-butyl-6-chloro-1H-benzimidazole);bis(2-tert-butyl-5-chloro-6-fluoro-1H-benzimidazole);2-tert-butyl-4,6-difluoro-1H-benzimidazole;2-tert-butyl-4,6-dimethyl-1H-benzimidazole;tetrakis(2-tert-butyl-6-methyl-1H-benzimidazole);2-tert-butyl-4,5,6-trifluoro-1H-benzimidazole;2-tert-butyl-4-(trifluoromethyl)-1H-benzimidazole
• SMILES: CC(C)(C)c1nc2c(C(F)(F)F)cccc2[nH]1.CC(C)(C)c1nc2c(F)c(F)c(F)cc2[nH]1.CC(C)(C)c1nc2c(F)cc(F)cc2[nH]1.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)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.Cc1ccc2nc(C(C)(C)C)[nH]c2c1
• InChI: InChI=1S/C13H18N2.C12H13F3N2.4C12H16N2.2C11H12ClFN2.2C11H13ClN2.C11H11F3N2.C11H12F2N2/c1-8-6-9(2)11-10(7-8)14-12(15-11)13(3,4)5;1-11(2,3)10-16-8-6-4-5-7(9(8)17-10)12(13,14)15;4*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;1-11(2,3)10-15-6-4-5(12)7(13)8(14)9(6)16-10;1-11(2,3)10-14-8-5-6(12)4-7(13)9(8)15-10/h6-7H,1-5H3,(H,14,15);4-6H,1-3H3,(H,16,17);4*5-7H,1-4H3,(H,13,14);2*4-5H,1-3H3,(H,14,15);2*4-6H,1-3H3,(H,13,14);4H,1-3H3,(H,15,16);4-5H,1-3H3,(H,14,15)
• InChIKey: LRJKJRIUGDGLOB-UHFFFAOYSA-N
• XLogP: 40.78
• TPSA: 344.16 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 12
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2506.83
LogP ≤ 5	40.78
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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);2-tert-butyl-4,6-difluoro-1H-benzimidazole;2-tert-butyl-4,6-dimethyl-1H-benzimidazole;tetrakis(2-tert-butyl-6-methyl-1H-benzimidazole);2-tert-butyl-4,5,6-trifluoro-1H-benzimidazole;2-tert-butyl-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);2-tert-butyl-4,6-difluoro-1H-benzimidazole;2-tert-butyl-4,6-dimethyl-1H-benzimidazole;tetrakis(2-tert-butyl-6-methyl-1H-benzimidazole);2-tert-butyl-4,5,6-trifluoro-1H-benzimidazole;2-tert-butyl-4-(trifluoromethyl)-1H-benzimidazole (CID 159434291) is bis(2-tert-butyl-6-chloro-1H-benzimidazole);bis(2-tert-butyl-5-chloro-6-fluoro-1H-benzimidazole);2-tert-butyl-4,6-difluoro-1H-benzimidazole;2-tert-butyl-4,6-dimethyl-1H-benzimidazole;tetrakis(2-tert-butyl-6-methyl-1H-benzimidazole);2-tert-butyl-4,5,6-trifluoro-1H-benzimidazole;2-tert-butyl-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);2-tert-butyl-4,6-difluoro-1H-benzimidazole;2-tert-butyl-4,6-dimethyl-1H-benzimidazole;tetrakis(2-tert-butyl-6-methyl-1H-benzimidazole);2-tert-butyl-4,5,6-trifluoro-1H-benzimidazole;2-tert-butyl-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);2-tert-butyl-4,6-difluoro-1H-benzimidazole;2-tert-butyl-4,6-dimethyl-1H-benzimidazole;tetrakis(2-tert-butyl-6-methyl-1H-benzimidazole);2-tert-butyl-4,5,6-trifluoro-1H-benzimidazole;2-tert-butyl-4-(trifluoromethyl)-1H-benzimidazole is CC(C)(C)c1nc2c(C(F)(F)F)cccc2[nH]1.CC(C)(C)c1nc2c(F)c(F)c(F)cc2[nH]1.CC(C)(C)c1nc2c(F)cc(F)cc2[nH]1.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)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.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);2-tert-butyl-4,6-difluoro-1H-benzimidazole;2-tert-butyl-4,6-dimethyl-1H-benzimidazole;tetrakis(2-tert-butyl-6-methyl-1H-benzimidazole);2-tert-butyl-4,5,6-trifluoro-1H-benzimidazole;2-tert-butyl-4-(trifluoromethyl)-1H-benzimidazole?

The InChIKey is LRJKJRIUGDGLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2.C12H13F3N2.4C12H16N2.2C11H12ClFN2.2C11H13ClN2.C11H11F3N2.C11H12F2N2/c1-8-6-9(2)11-10(7-8)14-12(15-11)13(3,4)5;1-11(2,3)10-16-8-6-4-5-7(9(8)17-10)12(13,14)15;4*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;1-11(2,3)10-15-6-4-5(12)7(13)8(14)9(6)16-10;1-11(2,3)10-14-8-5-6(12)4-7(13)9(8)15-10/h6-7H,1-5H3,(H,14,15);4-6H,1-3H3,(H,16,17);4*5-7H,1-4H3,(H,13,14);2*4-5H,1-3H3,(H,14,15);2*4-6H,1-3H3,(H,13,14);4H,1-3H3,(H,15,16);4-5H,1-3H3,(H,14,15).

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

bis(2-tert-butyl-6-chloro-1H-benzimidazole);bis(2-tert-butyl-5-chloro-6-fluoro-1H-benzimidazole);2-tert-butyl-4,6-difluoro-1H-benzimidazole;2-tert-butyl-4,6-dimethyl-1H-benzimidazole;tetrakis(2-tert-butyl-6-methyl-1H-benzimidazole);2-tert-butyl-4,5,6-trifluoro-1H-benzimidazole;2-tert-butyl-4-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 2506.83 g/mol, XLogP of 40.78, 0 rotatable bonds, 12 hydrogen bond donors, and 12 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);2-tert-butyl-4,6-difluoro-1H-benzimidazole;2-tert-butyl-4,6-dimethyl-1H-benzimidazole;tetrakis(2-tert-butyl-6-methyl-1H-benzimidazole);2-tert-butyl-4,5,6-trifluoro-1H-benzimidazole;2-tert-butyl-4-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 159434291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).