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;bis(2-tert-butyl-4,6-dimethyl-1H-benzimidazole);tris(2-tert-butyl-6-methyl-1H-benzimidazole);2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole;2-tert-butyl-4,5,6-trifluoro-1H-benzimidazole;2-tert-butyl-4-(trifluoromethyl)-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-benzimidazole

C164H199Cl4F13N28 — CID 159256590

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;bis(2-tert-butyl-4,6-dimethyl-1H-benzimidazole);tris(2-tert-butyl-6-methyl-1H-benzimidazole);2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole;2-tert-butyl-4,5,6-trifluoro-1H-benzimidazole;2-tert-butyl-4-(trifluoromethyl)-1H-benzimidazole;6-methyl-2-propan-2-yl-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;bis(2-tert-butyl-4,6-dimethyl-1H-benzimidazole);tris(2-tert-butyl-6-methyl-1H-benzimidazole);2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole;2-tert-butyl-4,5,6-trifluoro-1H-benzimidazole;2-tert-butyl-4-(trifluoromethyl)-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-benzimidazole (PubChem CID 159256590) has the molecular formula C164H199Cl4F13N28 and a molecular weight of 2951.38 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;bis(2-tert-butyl-4,6-dimethyl-1H-benzimidazole);tris(2-tert-butyl-6-methyl-1H-benzimidazole);2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole;2-tert-butyl-4,5,6-trifluoro-1H-benzimidazole;2-tert-butyl-4-(trifluoromethyl)-1H-benzimidazole;6-methyl-2-propan-2-yl-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;bis(2-tert-butyl-4,6-dimethyl-1H-benzimidazole);tris(2-tert-butyl-6-methyl-1H-benzimidazole);2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole;2-tert-butyl-4,5,6-trifluoro-1H-benzimidazole;2-tert-butyl-4-(trifluoromethyl)-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-benzimidazole
• PubChem CID: 159256590
• Molecular Formula: C164H199Cl4F13N28
• Molecular Weight: 2951.38 g/mol
• Exact Mass: 2947.50
• 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;bis(2-tert-butyl-4,6-dimethyl-1H-benzimidazole);tris(2-tert-butyl-6-methyl-1H-benzimidazole);2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole;2-tert-butyl-4,5,6-trifluoro-1H-benzimidazole;2-tert-butyl-4-(trifluoromethyl)-1H-benzimidazole;6-methyl-2-propan-2-yl-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(F)(F)F)c2nc(C(C)(C)C)[nH]c2c1.Cc1cc(C)c2nc(C(C)(C)C)[nH]c2c1.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)[nH]c2c1
• InChI: InChI=1S/C13H15F3N2.2C13H18N2.C12H13F3N2.3C12H16N2.2C11H12ClFN2.2C11H13ClN2.C11H11F3N2.C11H12F2N2.C11H14N2/c1-7-5-8(13(14,15)16)10-9(6-7)17-11(18-10)12(2,3)4;2*1-8-6-9(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;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;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;1-7(2)11-12-9-5-4-8(3)6-10(9)13-11/h5-6H,1-4H3,(H,17,18);2*6-7H,1-5H3,(H,14,15);4-6H,1-3H3,(H,16,17);3*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);4-7H,1-3H3,(H,12,13)
• InChIKey: KVYYDWXLSJKFSO-UHFFFAOYSA-N
• XLogP: 48.27
• TPSA: 401.52 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 14
• Rotatable Bonds: 1
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2951.38
LogP ≤ 5	48.27
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	14

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;bis(2-tert-butyl-4,6-dimethyl-1H-benzimidazole);tris(2-tert-butyl-6-methyl-1H-benzimidazole);2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole;2-tert-butyl-4,5,6-trifluoro-1H-benzimidazole;2-tert-butyl-4-(trifluoromethyl)-1H-benzimidazole;6-methyl-2-propan-2-yl-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;bis(2-tert-butyl-4,6-dimethyl-1H-benzimidazole);tris(2-tert-butyl-6-methyl-1H-benzimidazole);2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole;2-tert-butyl-4,5,6-trifluoro-1H-benzimidazole;2-tert-butyl-4-(trifluoromethyl)-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-benzimidazole (CID 159256590) 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;bis(2-tert-butyl-4,6-dimethyl-1H-benzimidazole);tris(2-tert-butyl-6-methyl-1H-benzimidazole);2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole;2-tert-butyl-4,5,6-trifluoro-1H-benzimidazole;2-tert-butyl-4-(trifluoromethyl)-1H-benzimidazole;6-methyl-2-propan-2-yl-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;bis(2-tert-butyl-4,6-dimethyl-1H-benzimidazole);tris(2-tert-butyl-6-methyl-1H-benzimidazole);2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole;2-tert-butyl-4,5,6-trifluoro-1H-benzimidazole;2-tert-butyl-4-(trifluoromethyl)-1H-benzimidazole;6-methyl-2-propan-2-yl-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;bis(2-tert-butyl-4,6-dimethyl-1H-benzimidazole);tris(2-tert-butyl-6-methyl-1H-benzimidazole);2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole;2-tert-butyl-4,5,6-trifluoro-1H-benzimidazole;2-tert-butyl-4-(trifluoromethyl)-1H-benzimidazole;6-methyl-2-propan-2-yl-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(F)(F)F)c2nc(C(C)(C)C)[nH]c2c1.Cc1cc(C)c2nc(C(C)(C)C)[nH]c2c1.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)[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;bis(2-tert-butyl-4,6-dimethyl-1H-benzimidazole);tris(2-tert-butyl-6-methyl-1H-benzimidazole);2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole;2-tert-butyl-4,5,6-trifluoro-1H-benzimidazole;2-tert-butyl-4-(trifluoromethyl)-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-benzimidazole?

The InChIKey is KVYYDWXLSJKFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2.2C13H18N2.C12H13F3N2.3C12H16N2.2C11H12ClFN2.2C11H13ClN2.C11H11F3N2.C11H12F2N2.C11H14N2/c1-7-5-8(13(14,15)16)10-9(6-7)17-11(18-10)12(2,3)4;2*1-8-6-9(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;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;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;1-7(2)11-12-9-5-4-8(3)6-10(9)13-11/h5-6H,1-4H3,(H,17,18);2*6-7H,1-5H3,(H,14,15);4-6H,1-3H3,(H,16,17);3*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);4-7H,1-3H3,(H,12,13).

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;bis(2-tert-butyl-4,6-dimethyl-1H-benzimidazole);tris(2-tert-butyl-6-methyl-1H-benzimidazole);2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole;2-tert-butyl-4,5,6-trifluoro-1H-benzimidazole;2-tert-butyl-4-(trifluoromethyl)-1H-benzimidazole;6-methyl-2-propan-2-yl-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;bis(2-tert-butyl-4,6-dimethyl-1H-benzimidazole);tris(2-tert-butyl-6-methyl-1H-benzimidazole);2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole;2-tert-butyl-4,5,6-trifluoro-1H-benzimidazole;2-tert-butyl-4-(trifluoromethyl)-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-benzimidazole has a molecular weight of 2951.38 g/mol, XLogP of 48.27, 1 rotatable bonds, 14 hydrogen bond donors, and 14 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;bis(2-tert-butyl-4,6-dimethyl-1H-benzimidazole);tris(2-tert-butyl-6-methyl-1H-benzimidazole);2-tert-butyl-6-methyl-4-(trifluoromethyl)-1H-benzimidazole;2-tert-butyl-4,5,6-trifluoro-1H-benzimidazole;2-tert-butyl-4-(trifluoromethyl)-1H-benzimidazole;6-methyl-2-propan-2-yl-1H-benzimidazole is sourced from PubChem (CID 159256590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).