2-tert-butyl-5-fluoro-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole;2-tert-butyl-7-fluoro-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole;2-[(2-tert-butyl-6-methylbenzimidazol-1-yl)methyl]-1,3-oxazole;2-tert-butyl-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole;2-tert-butyl-5-methyl-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine;2-tert-butyl-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine;2-tert-butyl-4,5,7-trifluoro-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole

C110H144F5N17O7 — CID 158999604

About 2-tert-butyl-5-fluoro-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole;2-tert-butyl-7-fluoro-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole;2-[(2-tert-butyl-6-methylbenzimidazol-1-yl)methyl]-1,3-oxazole;2-tert-butyl-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole;2-tert-butyl-5-methyl-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine;2-tert-butyl-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine;2-tert-butyl-4,5,7-trifluoro-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole

2-tert-butyl-5-fluoro-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole;2-tert-butyl-7-fluoro-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole;2-[(2-tert-butyl-6-methylbenzimidazol-1-yl)methyl]-1,3-oxazole;2-tert-butyl-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole;2-tert-butyl-5-methyl-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine;2-tert-butyl-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine;2-tert-butyl-4,5,7-trifluoro-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole (PubChem CID 158999604) has the molecular formula C110H144F5N17O7 and a molecular weight of 1911.46 g/mol. Its IUPAC name is 2-tert-butyl-5-fluoro-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole;2-tert-butyl-7-fluoro-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole;2-[(2-tert-butyl-6-methylbenzimidazol-1-yl)methyl]-1,3-oxazole;2-tert-butyl-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole;2-tert-butyl-5-methyl-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine;2-tert-butyl-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine;2-tert-butyl-4,5,7-trifluoro-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole.

Molecular Properties

• Compound Name: 2-tert-butyl-5-fluoro-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole;2-tert-butyl-7-fluoro-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole;2-[(2-tert-butyl-6-methylbenzimidazol-1-yl)methyl]-1,3-oxazole;2-tert-butyl-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole;2-tert-butyl-5-methyl-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine;2-tert-butyl-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine;2-tert-butyl-4,5,7-trifluoro-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole
• PubChem CID: 158999604
• Molecular Formula: C110H144F5N17O7
• Molecular Weight: 1911.46 g/mol
• Exact Mass: 1910.14
• IUPAC Name: 2-tert-butyl-5-fluoro-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole;2-tert-butyl-7-fluoro-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole;2-[(2-tert-butyl-6-methylbenzimidazol-1-yl)methyl]-1,3-oxazole;2-tert-butyl-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole;2-tert-butyl-5-methyl-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine;2-tert-butyl-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine;2-tert-butyl-4,5,7-trifluoro-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole
• SMILES: Cc1c(F)c(F)c2nc(C(C)(C)C)n(C[C@@H]3CCO3)c2c1F.Cc1cc2c(cc1F)nc(C(C)(C)C)n2C[C@@H]1CCO1.Cc1cc2c(cn1)nc(C(C)(C)C)n2C[C@@H]1CCO1.Cc1ccc2nc(C(C)(C)C)n(C[C@@H]3CCO3)c2c1.Cc1ccc2nc(C(C)(C)C)n(C[C@@H]3CCO3)c2c1F.Cc1ccc2nc(C(C)(C)C)n(C[C@@H]3CCO3)c2n1.Cc1ccc2nc(C(C)(C)C)n(Cc3ncco3)c2c1
• InChI: InChI=1S/C16H19F3N2O.2C16H21FN2O.C16H19N3O.C16H22N2O.2C15H21N3O/c1-8-10(17)12(19)13-14(11(8)18)21(7-9-5-6-22-9)15(20-13)16(2,3)4;1-10-7-14-13(8-12(10)17)18-15(16(2,3)4)19(14)9-11-5-6-20-11;1-10-5-6-12-14(13(10)17)19(9-11-7-8-20-11)15(18-12)16(2,3)4;1-11-5-6-12-13(9-11)19(10-14-17-7-8-20-14)15(18-12)16(2,3)4;1-11-5-6-13-14(9-11)18(10-12-7-8-19-12)15(17-13)16(2,3)4;1-10-7-13-12(8-16-10)17-14(15(2,3)4)18(13)9-11-5-6-19-11;1-10-5-6-12-13(16-10)18(9-11-7-8-19-11)14(17-12)15(2,3)4/h9H,5-7H2,1-4H3;7-8,11H,5-6,9H2,1-4H3;5-6,11H,7-9H2,1-4H3;5-9H,10H2,1-4H3;5-6,9,12H,7-8,10H2,1-4H3;7-8,11H,5-6,9H2,1-4H3;5-6,11H,7-9H2,1-4H3/t9-;2*11-;;12-;2*11-/m000.000/s1
• InChIKey: JREIGUCYZMNIBT-PXCVYVNSSA-N
• XLogP: 23.75
• TPSA: 231.93 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 14
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1911.46
LogP ≤ 5	23.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-fluoro-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole;2-tert-butyl-7-fluoro-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole;2-[(2-tert-butyl-6-methylbenzimidazol-1-yl)methyl]-1,3-oxazole;2-tert-butyl-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole;2-tert-butyl-5-methyl-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine;2-tert-butyl-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine;2-tert-butyl-4,5,7-trifluoro-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole?

The IUPAC name of 2-tert-butyl-5-fluoro-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole;2-tert-butyl-7-fluoro-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole;2-[(2-tert-butyl-6-methylbenzimidazol-1-yl)methyl]-1,3-oxazole;2-tert-butyl-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole;2-tert-butyl-5-methyl-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine;2-tert-butyl-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine;2-tert-butyl-4,5,7-trifluoro-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole (CID 158999604) is 2-tert-butyl-5-fluoro-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole;2-tert-butyl-7-fluoro-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole;2-[(2-tert-butyl-6-methylbenzimidazol-1-yl)methyl]-1,3-oxazole;2-tert-butyl-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole;2-tert-butyl-5-methyl-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine;2-tert-butyl-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine;2-tert-butyl-4,5,7-trifluoro-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole.

What is the SMILES notation for 2-tert-butyl-5-fluoro-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole;2-tert-butyl-7-fluoro-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole;2-[(2-tert-butyl-6-methylbenzimidazol-1-yl)methyl]-1,3-oxazole;2-tert-butyl-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole;2-tert-butyl-5-methyl-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine;2-tert-butyl-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine;2-tert-butyl-4,5,7-trifluoro-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole?

The canonical SMILES for 2-tert-butyl-5-fluoro-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole;2-tert-butyl-7-fluoro-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole;2-[(2-tert-butyl-6-methylbenzimidazol-1-yl)methyl]-1,3-oxazole;2-tert-butyl-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole;2-tert-butyl-5-methyl-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine;2-tert-butyl-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine;2-tert-butyl-4,5,7-trifluoro-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole is Cc1c(F)c(F)c2nc(C(C)(C)C)n(C[C@@H]3CCO3)c2c1F.Cc1cc2c(cc1F)nc(C(C)(C)C)n2C[C@@H]1CCO1.Cc1cc2c(cn1)nc(C(C)(C)C)n2C[C@@H]1CCO1.Cc1ccc2nc(C(C)(C)C)n(C[C@@H]3CCO3)c2c1.Cc1ccc2nc(C(C)(C)C)n(C[C@@H]3CCO3)c2c1F.Cc1ccc2nc(C(C)(C)C)n(C[C@@H]3CCO3)c2n1.Cc1ccc2nc(C(C)(C)C)n(Cc3ncco3)c2c1.

What is the InChIKey of 2-tert-butyl-5-fluoro-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole;2-tert-butyl-7-fluoro-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole;2-[(2-tert-butyl-6-methylbenzimidazol-1-yl)methyl]-1,3-oxazole;2-tert-butyl-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole;2-tert-butyl-5-methyl-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine;2-tert-butyl-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine;2-tert-butyl-4,5,7-trifluoro-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole?

The InChIKey is JREIGUCYZMNIBT-PXCVYVNSSA-N. The full InChI is InChI=1S/C16H19F3N2O.2C16H21FN2O.C16H19N3O.C16H22N2O.2C15H21N3O/c1-8-10(17)12(19)13-14(11(8)18)21(7-9-5-6-22-9)15(20-13)16(2,3)4;1-10-7-14-13(8-12(10)17)18-15(16(2,3)4)19(14)9-11-5-6-20-11;1-10-5-6-12-14(13(10)17)19(9-11-7-8-20-11)15(18-12)16(2,3)4;1-11-5-6-12-13(9-11)19(10-14-17-7-8-20-14)15(18-12)16(2,3)4;1-11-5-6-13-14(9-11)18(10-12-7-8-19-12)15(17-13)16(2,3)4;1-10-7-13-12(8-16-10)17-14(15(2,3)4)18(13)9-11-5-6-19-11;1-10-5-6-12-13(16-10)18(9-11-7-8-19-11)14(17-12)15(2,3)4/h9H,5-7H2,1-4H3;7-8,11H,5-6,9H2,1-4H3;5-6,11H,7-9H2,1-4H3;5-9H,10H2,1-4H3;5-6,9,12H,7-8,10H2,1-4H3;7-8,11H,5-6,9H2,1-4H3;5-6,11H,7-9H2,1-4H3/t9-;2*11-;;12-;2*11-/m000.000/s1.

What are the key properties of 2-tert-butyl-5-fluoro-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole;2-tert-butyl-7-fluoro-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole;2-[(2-tert-butyl-6-methylbenzimidazol-1-yl)methyl]-1,3-oxazole;2-tert-butyl-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole;2-tert-butyl-5-methyl-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine;2-tert-butyl-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine;2-tert-butyl-4,5,7-trifluoro-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole?

2-tert-butyl-5-fluoro-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole;2-tert-butyl-7-fluoro-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole;2-[(2-tert-butyl-6-methylbenzimidazol-1-yl)methyl]-1,3-oxazole;2-tert-butyl-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole;2-tert-butyl-5-methyl-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine;2-tert-butyl-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine;2-tert-butyl-4,5,7-trifluoro-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole has a molecular weight of 1911.46 g/mol, XLogP of 23.75, 14 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-5-fluoro-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole;2-tert-butyl-7-fluoro-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole;2-[(2-tert-butyl-6-methylbenzimidazol-1-yl)methyl]-1,3-oxazole;2-tert-butyl-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole;2-tert-butyl-5-methyl-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine;2-tert-butyl-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-c]pyridine;2-tert-butyl-4,5,7-trifluoro-6-methyl-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole is sourced from PubChem (CID 158999604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).