5-(3-tert-butyl-5-chloro-4-fluorophenyl)-1H-imidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1-methylimidazole;4-(3-tert-butyl-4,5-dichlorophenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-ethylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-(2-methoxyethyl)imidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propan-2-ylimidazole;4-(3,4-difluoro-5-propan-2-ylphenyl)-1-methylimidazole

C119H146Cl4F8N16O — CID 165015969

About 5-(3-tert-butyl-5-chloro-4-fluorophenyl)-1H-imidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1-methylimidazole;4-(3-tert-butyl-4,5-dichlorophenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-ethylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-(2-methoxyethyl)imidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propan-2-ylimidazole;4-(3,4-difluoro-5-propan-2-ylphenyl)-1-methylimidazole

5-(3-tert-butyl-5-chloro-4-fluorophenyl)-1H-imidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1-methylimidazole;4-(3-tert-butyl-4,5-dichlorophenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-ethylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-(2-methoxyethyl)imidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propan-2-ylimidazole;4-(3,4-difluoro-5-propan-2-ylphenyl)-1-methylimidazole (PubChem CID 165015969) has the molecular formula C119H146Cl4F8N16O and a molecular weight of 2110.38 g/mol. Its IUPAC name is 5-(3-tert-butyl-5-chloro-4-fluorophenyl)-1H-imidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1-methylimidazole;4-(3-tert-butyl-4,5-dichlorophenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-ethylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-(2-methoxyethyl)imidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propan-2-ylimidazole;4-(3,4-difluoro-5-propan-2-ylphenyl)-1-methylimidazole.

Molecular Properties

• Compound Name: 5-(3-tert-butyl-5-chloro-4-fluorophenyl)-1H-imidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1-methylimidazole;4-(3-tert-butyl-4,5-dichlorophenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-ethylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-(2-methoxyethyl)imidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propan-2-ylimidazole;4-(3,4-difluoro-5-propan-2-ylphenyl)-1-methylimidazole
• PubChem CID: 165015969
• Molecular Formula: C119H146Cl4F8N16O
• Molecular Weight: 2110.38 g/mol
• Exact Mass: 2107.05
• IUPAC Name: 5-(3-tert-butyl-5-chloro-4-fluorophenyl)-1H-imidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1-methylimidazole;4-(3-tert-butyl-4,5-dichlorophenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-ethylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-(2-methoxyethyl)imidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propan-2-ylimidazole;4-(3,4-difluoro-5-propan-2-ylphenyl)-1-methylimidazole
• SMILES: CC(C)(C)c1cc(-c2cnc[nH]2)cc(Cl)c1F.CC(C)c1cc(-c2cn(C)cn2)cc(F)c1F.CCn1cnc(-c2cc(C)c(F)c(C(C)(C)C)c2)c1.COCCn1cnc(-c2cc(C)c(F)c(C(C)(C)C)c2)c1.Cc1cc(-c2cn(C(C)C)cn2)cc(C(C)(C)C)c1F.Cc1cc(-c2cn(C)cn2)cc(C(C)(C)C)c1F.Cn1cnc(-c2cc(Cl)c(Cl)c(C(C)(C)C)c2)c1.Cn1cnc(-c2cc(Cl)c(F)c(C(C)(C)C)c2)c1
• InChI: InChI=1S/C17H23FN2O.C17H23FN2.C16H21FN2.C15H19FN2.C14H16Cl2N2.C14H16ClFN2.C13H14ClFN2.C13H14F2N2/c1-12-8-13(9-14(16(12)18)17(2,3)4)15-10-20(11-19-15)6-7-21-5;1-11(2)20-9-15(19-10-20)13-7-12(3)16(18)14(8-13)17(4,5)6;1-6-19-9-14(18-10-19)12-7-11(2)15(17)13(8-12)16(3,4)5;1-10-6-11(13-8-18(5)9-17-13)7-12(14(10)16)15(2,3)4;2*1-14(2,3)10-5-9(6-11(15)13(10)16)12-7-18(4)8-17-12;1-13(2,3)9-4-8(5-10(14)12(9)15)11-6-16-7-17-11;1-8(2)10-4-9(5-11(14)13(10)15)12-6-17(3)7-16-12/h8-11H,6-7H2,1-5H3;7-11H,1-6H3;7-10H,6H2,1-5H3;6-9H,1-5H3;2*5-8H,1-4H3;4-7H,1-3H3,(H,16,17);4-8H,1-3H3
• InChIKey: KKQJHAKEJVUHII-UHFFFAOYSA-N
• XLogP: 33.49
• TPSA: 162.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2110.38
LogP ≤ 5	33.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 5-(3-tert-butyl-5-chloro-4-fluorophenyl)-1H-imidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1-methylimidazole;4-(3-tert-butyl-4,5-dichlorophenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-ethylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-(2-methoxyethyl)imidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propan-2-ylimidazole;4-(3,4-difluoro-5-propan-2-ylphenyl)-1-methylimidazole?

The IUPAC name of 5-(3-tert-butyl-5-chloro-4-fluorophenyl)-1H-imidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1-methylimidazole;4-(3-tert-butyl-4,5-dichlorophenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-ethylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-(2-methoxyethyl)imidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propan-2-ylimidazole;4-(3,4-difluoro-5-propan-2-ylphenyl)-1-methylimidazole (CID 165015969) is 5-(3-tert-butyl-5-chloro-4-fluorophenyl)-1H-imidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1-methylimidazole;4-(3-tert-butyl-4,5-dichlorophenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-ethylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-(2-methoxyethyl)imidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propan-2-ylimidazole;4-(3,4-difluoro-5-propan-2-ylphenyl)-1-methylimidazole.

What is the SMILES notation for 5-(3-tert-butyl-5-chloro-4-fluorophenyl)-1H-imidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1-methylimidazole;4-(3-tert-butyl-4,5-dichlorophenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-ethylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-(2-methoxyethyl)imidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propan-2-ylimidazole;4-(3,4-difluoro-5-propan-2-ylphenyl)-1-methylimidazole?

The canonical SMILES for 5-(3-tert-butyl-5-chloro-4-fluorophenyl)-1H-imidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1-methylimidazole;4-(3-tert-butyl-4,5-dichlorophenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-ethylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-(2-methoxyethyl)imidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propan-2-ylimidazole;4-(3,4-difluoro-5-propan-2-ylphenyl)-1-methylimidazole is CC(C)(C)c1cc(-c2cnc[nH]2)cc(Cl)c1F.CC(C)c1cc(-c2cn(C)cn2)cc(F)c1F.CCn1cnc(-c2cc(C)c(F)c(C(C)(C)C)c2)c1.COCCn1cnc(-c2cc(C)c(F)c(C(C)(C)C)c2)c1.Cc1cc(-c2cn(C(C)C)cn2)cc(C(C)(C)C)c1F.Cc1cc(-c2cn(C)cn2)cc(C(C)(C)C)c1F.Cn1cnc(-c2cc(Cl)c(Cl)c(C(C)(C)C)c2)c1.Cn1cnc(-c2cc(Cl)c(F)c(C(C)(C)C)c2)c1.

What is the InChIKey of 5-(3-tert-butyl-5-chloro-4-fluorophenyl)-1H-imidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1-methylimidazole;4-(3-tert-butyl-4,5-dichlorophenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-ethylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-(2-methoxyethyl)imidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propan-2-ylimidazole;4-(3,4-difluoro-5-propan-2-ylphenyl)-1-methylimidazole?

The InChIKey is KKQJHAKEJVUHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O.C17H23FN2.C16H21FN2.C15H19FN2.C14H16Cl2N2.C14H16ClFN2.C13H14ClFN2.C13H14F2N2/c1-12-8-13(9-14(16(12)18)17(2,3)4)15-10-20(11-19-15)6-7-21-5;1-11(2)20-9-15(19-10-20)13-7-12(3)16(18)14(8-13)17(4,5)6;1-6-19-9-14(18-10-19)12-7-11(2)15(17)13(8-12)16(3,4)5;1-10-6-11(13-8-18(5)9-17-13)7-12(14(10)16)15(2,3)4;2*1-14(2,3)10-5-9(6-11(15)13(10)16)12-7-18(4)8-17-12;1-13(2,3)9-4-8(5-10(14)12(9)15)11-6-16-7-17-11;1-8(2)10-4-9(5-11(14)13(10)15)12-6-17(3)7-16-12/h8-11H,6-7H2,1-5H3;7-11H,1-6H3;7-10H,6H2,1-5H3;6-9H,1-5H3;2*5-8H,1-4H3;4-7H,1-3H3,(H,16,17);4-8H,1-3H3.

What are the key properties of 5-(3-tert-butyl-5-chloro-4-fluorophenyl)-1H-imidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1-methylimidazole;4-(3-tert-butyl-4,5-dichlorophenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-ethylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-(2-methoxyethyl)imidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propan-2-ylimidazole;4-(3,4-difluoro-5-propan-2-ylphenyl)-1-methylimidazole?

5-(3-tert-butyl-5-chloro-4-fluorophenyl)-1H-imidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1-methylimidazole;4-(3-tert-butyl-4,5-dichlorophenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-ethylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-(2-methoxyethyl)imidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propan-2-ylimidazole;4-(3,4-difluoro-5-propan-2-ylphenyl)-1-methylimidazole has a molecular weight of 2110.38 g/mol, XLogP of 33.49, 14 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-tert-butyl-5-chloro-4-fluorophenyl)-1H-imidazole;4-(3-tert-butyl-5-chloro-4-fluorophenyl)-1-methylimidazole;4-(3-tert-butyl-4,5-dichlorophenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-ethylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-(2-methoxyethyl)imidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-methylimidazole;4-(3-tert-butyl-4-fluoro-5-methylphenyl)-1-propan-2-ylimidazole;4-(3,4-difluoro-5-propan-2-ylphenyl)-1-methylimidazole is sourced from PubChem (CID 165015969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).