bis(4-tert-butyl-1H-benzimidazole);2-tert-butyl-1-benzofuran;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;fluoromethane;bis(8-propan-2-yl-4H-1,3-benzodioxine);4-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-2,3-dihydro-1-benzofuran;8-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-1H-indole

C134H164F3N5O12 — CID 160666913

About bis(4-tert-butyl-1H-benzimidazole);2-tert-butyl-1-benzofuran;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;fluoromethane;bis(8-propan-2-yl-4H-1,3-benzodioxine);4-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-2,3-dihydro-1-benzofuran;8-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-1H-indole

bis(4-tert-butyl-1H-benzimidazole);2-tert-butyl-1-benzofuran;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;fluoromethane;bis(8-propan-2-yl-4H-1,3-benzodioxine);4-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-2,3-dihydro-1-benzofuran;8-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-1H-indole (PubChem CID 160666913) has the molecular formula C134H164F3N5O12 and a molecular weight of 2093.80 g/mol. Its IUPAC name is bis(4-tert-butyl-1H-benzimidazole);2-tert-butyl-1-benzofuran;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;fluoromethane;bis(8-propan-2-yl-4H-1,3-benzodioxine);4-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-2,3-dihydro-1-benzofuran;8-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-1H-indole.

Molecular Properties

• Compound Name: bis(4-tert-butyl-1H-benzimidazole);2-tert-butyl-1-benzofuran;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;fluoromethane;bis(8-propan-2-yl-4H-1,3-benzodioxine);4-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-2,3-dihydro-1-benzofuran;8-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-1H-indole
• PubChem CID: 160666913
• Molecular Formula: C134H164F3N5O12
• Molecular Weight: 2093.80 g/mol
• Exact Mass: 2092.23
• IUPAC Name: bis(4-tert-butyl-1H-benzimidazole);2-tert-butyl-1-benzofuran;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;fluoromethane;bis(8-propan-2-yl-4H-1,3-benzodioxine);4-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-2,3-dihydro-1-benzofuran;8-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-1H-indole
• SMILES: CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1cccc2[nH]cnc12.CC(C)(C)c1cccc2[nH]cnc12.CC(C)c1cc2ccccc2[nH]1.CC(C)c1cccc2c1CCO2.CC(C)c1cccc2c1OC(F)(F)O2.CC(C)c1cccc2c1OCC2.CC(C)c1cccc2c1OCCC2.CC(C)c1cccc2c1OCOC2.CC(C)c1cccc2c1OCOC2.CC(C)c1cccc2ccoc12.CC(C)c1cccc2occc12.CF
• InChI: InChI=1S/C12H14O.C12H16O.2C11H14N2.C11H13N.2C11H14O2.C11H14O.C11H12O.C11H14O.C11H12O.C10H10F2O2.CH3F/c1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;2*1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-8(2)11-7-9-5-3-4-6-10(9)12-11;2*1-8(2)10-5-3-4-9-6-12-7-13-11(9)10;2*1-8(2)9-4-3-5-11-10(9)6-7-12-11;2*1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-6(2)7-4-3-5-8-9(7)14-10(11,12)13-8;1-2/h4-8H,1-3H3;3,5,7,9H,4,6,8H2,1-2H3;2*4-7H,1-3H3,(H,12,13);3-8,12H,1-2H3;2*3-5,8H,6-7H2,1-2H3;3-5,8H,6-7H2,1-2H3;3-8H,1-2H3;3-5,8H,6-7H2,1-2H3;3-8H,1-2H3;3-6H,1-2H3;1H3
• InChIKey: RMKQWYSIKZGCQZ-UHFFFAOYSA-N
• XLogP: 37.55
• TPSA: 195.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2093.80
LogP ≤ 5	37.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of bis(4-tert-butyl-1H-benzimidazole);2-tert-butyl-1-benzofuran;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;fluoromethane;bis(8-propan-2-yl-4H-1,3-benzodioxine);4-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-2,3-dihydro-1-benzofuran;8-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-1H-indole?

The IUPAC name of bis(4-tert-butyl-1H-benzimidazole);2-tert-butyl-1-benzofuran;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;fluoromethane;bis(8-propan-2-yl-4H-1,3-benzodioxine);4-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-2,3-dihydro-1-benzofuran;8-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-1H-indole (CID 160666913) is bis(4-tert-butyl-1H-benzimidazole);2-tert-butyl-1-benzofuran;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;fluoromethane;bis(8-propan-2-yl-4H-1,3-benzodioxine);4-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-2,3-dihydro-1-benzofuran;8-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-1H-indole.

What is the SMILES notation for bis(4-tert-butyl-1H-benzimidazole);2-tert-butyl-1-benzofuran;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;fluoromethane;bis(8-propan-2-yl-4H-1,3-benzodioxine);4-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-2,3-dihydro-1-benzofuran;8-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-1H-indole?

The canonical SMILES for bis(4-tert-butyl-1H-benzimidazole);2-tert-butyl-1-benzofuran;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;fluoromethane;bis(8-propan-2-yl-4H-1,3-benzodioxine);4-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-2,3-dihydro-1-benzofuran;8-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-1H-indole is CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1cccc2[nH]cnc12.CC(C)(C)c1cccc2[nH]cnc12.CC(C)c1cc2ccccc2[nH]1.CC(C)c1cccc2c1CCO2.CC(C)c1cccc2c1OC(F)(F)O2.CC(C)c1cccc2c1OCC2.CC(C)c1cccc2c1OCCC2.CC(C)c1cccc2c1OCOC2.CC(C)c1cccc2c1OCOC2.CC(C)c1cccc2ccoc12.CC(C)c1cccc2occc12.CF.

What is the InChIKey of bis(4-tert-butyl-1H-benzimidazole);2-tert-butyl-1-benzofuran;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;fluoromethane;bis(8-propan-2-yl-4H-1,3-benzodioxine);4-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-2,3-dihydro-1-benzofuran;8-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-1H-indole?

The InChIKey is RMKQWYSIKZGCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O.C12H16O.2C11H14N2.C11H13N.2C11H14O2.C11H14O.C11H12O.C11H14O.C11H12O.C10H10F2O2.CH3F/c1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;2*1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-8(2)11-7-9-5-3-4-6-10(9)12-11;2*1-8(2)10-5-3-4-9-6-12-7-13-11(9)10;2*1-8(2)9-4-3-5-11-10(9)6-7-12-11;2*1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-6(2)7-4-3-5-8-9(7)14-10(11,12)13-8;1-2/h4-8H,1-3H3;3,5,7,9H,4,6,8H2,1-2H3;2*4-7H,1-3H3,(H,12,13);3-8,12H,1-2H3;2*3-5,8H,6-7H2,1-2H3;3-5,8H,6-7H2,1-2H3;3-8H,1-2H3;3-5,8H,6-7H2,1-2H3;3-8H,1-2H3;3-6H,1-2H3;1H3.

What are the key properties of bis(4-tert-butyl-1H-benzimidazole);2-tert-butyl-1-benzofuran;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;fluoromethane;bis(8-propan-2-yl-4H-1,3-benzodioxine);4-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-2,3-dihydro-1-benzofuran;8-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-1H-indole?

bis(4-tert-butyl-1H-benzimidazole);2-tert-butyl-1-benzofuran;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;fluoromethane;bis(8-propan-2-yl-4H-1,3-benzodioxine);4-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-2,3-dihydro-1-benzofuran;8-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-1H-indole has a molecular weight of 2093.80 g/mol, XLogP of 37.55, 9 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-tert-butyl-1H-benzimidazole);2-tert-butyl-1-benzofuran;2,2-difluoro-4-propan-2-yl-1,3-benzodioxole;fluoromethane;bis(8-propan-2-yl-4H-1,3-benzodioxine);4-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-2,3-dihydro-1-benzofuran;8-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-1H-indole is sourced from PubChem (CID 160666913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).