1-[1-cyclobutyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]propan-1-ol;bis(5-[1-(3-fluorocyclobutyl)-2-propan-2-ylimidazol-4-yl]-2-methyl-3-(trifluoromethyl)pyridine);2-methyl-5-(1-methyl-2-propan-2-ylimidazol-4-yl)-3-(trifluoromethyl)pyridine;2-methyl-5-[1-(2-oxaspiro[3.3]heptan-6-yl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridine;bis(3-methyl-5-[1-[(1R,5S)-3-(1,4-oxazepan-4-yl)-6-bicyclo[3.1.0]hexanyl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine)

C130H162F17N25O4 — CID 157163616

About 1-[1-cyclobutyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]propan-1-ol;bis(5-[1-(3-fluorocyclobutyl)-2-propan-2-ylimidazol-4-yl]-2-methyl-3-(trifluoromethyl)pyridine);2-methyl-5-(1-methyl-2-propan-2-ylimidazol-4-yl)-3-(trifluoromethyl)pyridine;2-methyl-5-[1-(2-oxaspiro[3.3]heptan-6-yl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridine;bis(3-methyl-5-[1-[(1R,5S)-3-(1,4-oxazepan-4-yl)-6-bicyclo[3.1.0]hexanyl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine)

1-[1-cyclobutyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]propan-1-ol;bis(5-[1-(3-fluorocyclobutyl)-2-propan-2-ylimidazol-4-yl]-2-methyl-3-(trifluoromethyl)pyridine);2-methyl-5-(1-methyl-2-propan-2-ylimidazol-4-yl)-3-(trifluoromethyl)pyridine;2-methyl-5-[1-(2-oxaspiro[3.3]heptan-6-yl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridine;bis(3-methyl-5-[1-[(1R,5S)-3-(1,4-oxazepan-4-yl)-6-bicyclo[3.1.0]hexanyl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine) (PubChem CID 157163616) has the molecular formula C130H162F17N25O4 and a molecular weight of 2461.86 g/mol. Its IUPAC name is 1-[1-cyclobutyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]propan-1-ol;bis(5-[1-(3-fluorocyclobutyl)-2-propan-2-ylimidazol-4-yl]-2-methyl-3-(trifluoromethyl)pyridine);2-methyl-5-(1-methyl-2-propan-2-ylimidazol-4-yl)-3-(trifluoromethyl)pyridine;2-methyl-5-[1-(2-oxaspiro[3.3]heptan-6-yl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridine;bis(3-methyl-5-[1-[(1R,5S)-3-(1,4-oxazepan-4-yl)-6-bicyclo[3.1.0]hexanyl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine).

Molecular Properties

• Compound Name: 1-[1-cyclobutyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]propan-1-ol;bis(5-[1-(3-fluorocyclobutyl)-2-propan-2-ylimidazol-4-yl]-2-methyl-3-(trifluoromethyl)pyridine);2-methyl-5-(1-methyl-2-propan-2-ylimidazol-4-yl)-3-(trifluoromethyl)pyridine;2-methyl-5-[1-(2-oxaspiro[3.3]heptan-6-yl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridine;bis(3-methyl-5-[1-[(1R,5S)-3-(1,4-oxazepan-4-yl)-6-bicyclo[3.1.0]hexanyl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine)
• PubChem CID: 157163616
• Molecular Formula: C130H162F17N25O4
• Molecular Weight: 2461.86 g/mol
• Exact Mass: 2460.30
• IUPAC Name: 1-[1-cyclobutyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]propan-1-ol;bis(5-[1-(3-fluorocyclobutyl)-2-propan-2-ylimidazol-4-yl]-2-methyl-3-(trifluoromethyl)pyridine);2-methyl-5-(1-methyl-2-propan-2-ylimidazol-4-yl)-3-(trifluoromethyl)pyridine;2-methyl-5-[1-(2-oxaspiro[3.3]heptan-6-yl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridine;bis(3-methyl-5-[1-[(1R,5S)-3-(1,4-oxazepan-4-yl)-6-bicyclo[3.1.0]hexanyl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine)
• SMILES: CCC(O)c1nc(-c2cnc(C)c(C(F)(F)F)c2)cn1C1CCC1.Cc1cc(-c2cn(C3[C@H]4CC(N5CCCOCC5)C[C@@H]34)c(C(C)C)n2)cnc1N.Cc1cc(-c2cn(C3[C@H]4CC(N5CCCOCC5)C[C@@H]34)c(C(C)C)n2)cnc1N.Cc1ncc(-c2cn(C)c(C(C)C)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3CC(F)C3)c(C(C)C)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3CC(F)C3)c(C(C)C)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3CC4(COC4)C3)c(C(C)C)n2)cc1C(F)(F)F
• InChI: InChI=1S/2C23H33N5O.C19H22F3N3O.2C17H19F4N3.C17H20F3N3O.C14H16F3N3/c2*1-14(2)23-26-20(16-9-15(3)22(24)25-12-16)13-28(23)21-18-10-17(11-19(18)21)27-5-4-7-29-8-6-27;1-11(2)17-24-16(8-25(17)14-5-18(6-14)9-26-10-18)13-4-15(19(20,21)22)12(3)23-7-13;2*1-9(2)16-23-15(8-24(16)13-5-12(18)6-13)11-4-14(17(19,20)21)10(3)22-7-11;1-3-15(24)16-22-14(9-23(16)12-5-4-6-12)11-7-13(17(18,19)20)10(2)21-8-11;1-8(2)13-19-12(7-20(13)4)10-5-11(14(15,16)17)9(3)18-6-10/h2*9,12-14,17-19,21H,4-8,10-11H2,1-3H3,(H2,24,25);4,7-8,11,14H,5-6,9-10H2,1-3H3;2*4,7-9,12-13H,5-6H2,1-3H3;7-9,12,15,24H,3-6H2,1-2H3;5-8H,1-4H3/t2*17?,18-,19+,21?
• InChIKey: AMQSQZAMMDQFLC-LGQJZXKVSA-N
• XLogP: 30.52
• TPSA: 321.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 29
• Rotatable Bonds: 23
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2461.86
LogP ≤ 5	30.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 1-[1-cyclobutyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]propan-1-ol;bis(5-[1-(3-fluorocyclobutyl)-2-propan-2-ylimidazol-4-yl]-2-methyl-3-(trifluoromethyl)pyridine);2-methyl-5-(1-methyl-2-propan-2-ylimidazol-4-yl)-3-(trifluoromethyl)pyridine;2-methyl-5-[1-(2-oxaspiro[3.3]heptan-6-yl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridine;bis(3-methyl-5-[1-[(1R,5S)-3-(1,4-oxazepan-4-yl)-6-bicyclo[3.1.0]hexanyl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine)?

The IUPAC name of 1-[1-cyclobutyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]propan-1-ol;bis(5-[1-(3-fluorocyclobutyl)-2-propan-2-ylimidazol-4-yl]-2-methyl-3-(trifluoromethyl)pyridine);2-methyl-5-(1-methyl-2-propan-2-ylimidazol-4-yl)-3-(trifluoromethyl)pyridine;2-methyl-5-[1-(2-oxaspiro[3.3]heptan-6-yl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridine;bis(3-methyl-5-[1-[(1R,5S)-3-(1,4-oxazepan-4-yl)-6-bicyclo[3.1.0]hexanyl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine) (CID 157163616) is 1-[1-cyclobutyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]propan-1-ol;bis(5-[1-(3-fluorocyclobutyl)-2-propan-2-ylimidazol-4-yl]-2-methyl-3-(trifluoromethyl)pyridine);2-methyl-5-(1-methyl-2-propan-2-ylimidazol-4-yl)-3-(trifluoromethyl)pyridine;2-methyl-5-[1-(2-oxaspiro[3.3]heptan-6-yl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridine;bis(3-methyl-5-[1-[(1R,5S)-3-(1,4-oxazepan-4-yl)-6-bicyclo[3.1.0]hexanyl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine).

What is the SMILES notation for 1-[1-cyclobutyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]propan-1-ol;bis(5-[1-(3-fluorocyclobutyl)-2-propan-2-ylimidazol-4-yl]-2-methyl-3-(trifluoromethyl)pyridine);2-methyl-5-(1-methyl-2-propan-2-ylimidazol-4-yl)-3-(trifluoromethyl)pyridine;2-methyl-5-[1-(2-oxaspiro[3.3]heptan-6-yl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridine;bis(3-methyl-5-[1-[(1R,5S)-3-(1,4-oxazepan-4-yl)-6-bicyclo[3.1.0]hexanyl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine)?

The canonical SMILES for 1-[1-cyclobutyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]propan-1-ol;bis(5-[1-(3-fluorocyclobutyl)-2-propan-2-ylimidazol-4-yl]-2-methyl-3-(trifluoromethyl)pyridine);2-methyl-5-(1-methyl-2-propan-2-ylimidazol-4-yl)-3-(trifluoromethyl)pyridine;2-methyl-5-[1-(2-oxaspiro[3.3]heptan-6-yl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridine;bis(3-methyl-5-[1-[(1R,5S)-3-(1,4-oxazepan-4-yl)-6-bicyclo[3.1.0]hexanyl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine) is CCC(O)c1nc(-c2cnc(C)c(C(F)(F)F)c2)cn1C1CCC1.Cc1cc(-c2cn(C3[C@H]4CC(N5CCCOCC5)C[C@@H]34)c(C(C)C)n2)cnc1N.Cc1cc(-c2cn(C3[C@H]4CC(N5CCCOCC5)C[C@@H]34)c(C(C)C)n2)cnc1N.Cc1ncc(-c2cn(C)c(C(C)C)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3CC(F)C3)c(C(C)C)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3CC(F)C3)c(C(C)C)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C3CC4(COC4)C3)c(C(C)C)n2)cc1C(F)(F)F.

What is the InChIKey of 1-[1-cyclobutyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]propan-1-ol;bis(5-[1-(3-fluorocyclobutyl)-2-propan-2-ylimidazol-4-yl]-2-methyl-3-(trifluoromethyl)pyridine);2-methyl-5-(1-methyl-2-propan-2-ylimidazol-4-yl)-3-(trifluoromethyl)pyridine;2-methyl-5-[1-(2-oxaspiro[3.3]heptan-6-yl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridine;bis(3-methyl-5-[1-[(1R,5S)-3-(1,4-oxazepan-4-yl)-6-bicyclo[3.1.0]hexanyl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine)?

The InChIKey is AMQSQZAMMDQFLC-LGQJZXKVSA-N. The full InChI is InChI=1S/2C23H33N5O.C19H22F3N3O.2C17H19F4N3.C17H20F3N3O.C14H16F3N3/c2*1-14(2)23-26-20(16-9-15(3)22(24)25-12-16)13-28(23)21-18-10-17(11-19(18)21)27-5-4-7-29-8-6-27;1-11(2)17-24-16(8-25(17)14-5-18(6-14)9-26-10-18)13-4-15(19(20,21)22)12(3)23-7-13;2*1-9(2)16-23-15(8-24(16)13-5-12(18)6-13)11-4-14(17(19,20)21)10(3)22-7-11;1-3-15(24)16-22-14(9-23(16)12-5-4-6-12)11-7-13(17(18,19)20)10(2)21-8-11;1-8(2)13-19-12(7-20(13)4)10-5-11(14(15,16)17)9(3)18-6-10/h2*9,12-14,17-19,21H,4-8,10-11H2,1-3H3,(H2,24,25);4,7-8,11,14H,5-6,9-10H2,1-3H3;2*4,7-9,12-13H,5-6H2,1-3H3;7-9,12,15,24H,3-6H2,1-2H3;5-8H,1-4H3/t2*17?,18-,19+,21?;;;;;.

What are the key properties of 1-[1-cyclobutyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]propan-1-ol;bis(5-[1-(3-fluorocyclobutyl)-2-propan-2-ylimidazol-4-yl]-2-methyl-3-(trifluoromethyl)pyridine);2-methyl-5-(1-methyl-2-propan-2-ylimidazol-4-yl)-3-(trifluoromethyl)pyridine;2-methyl-5-[1-(2-oxaspiro[3.3]heptan-6-yl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridine;bis(3-methyl-5-[1-[(1R,5S)-3-(1,4-oxazepan-4-yl)-6-bicyclo[3.1.0]hexanyl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine)?

1-[1-cyclobutyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]propan-1-ol;bis(5-[1-(3-fluorocyclobutyl)-2-propan-2-ylimidazol-4-yl]-2-methyl-3-(trifluoromethyl)pyridine);2-methyl-5-(1-methyl-2-propan-2-ylimidazol-4-yl)-3-(trifluoromethyl)pyridine;2-methyl-5-[1-(2-oxaspiro[3.3]heptan-6-yl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridine;bis(3-methyl-5-[1-[(1R,5S)-3-(1,4-oxazepan-4-yl)-6-bicyclo[3.1.0]hexanyl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine) has a molecular weight of 2461.86 g/mol, XLogP of 30.52, 23 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-cyclobutyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]propan-1-ol;bis(5-[1-(3-fluorocyclobutyl)-2-propan-2-ylimidazol-4-yl]-2-methyl-3-(trifluoromethyl)pyridine);2-methyl-5-(1-methyl-2-propan-2-ylimidazol-4-yl)-3-(trifluoromethyl)pyridine;2-methyl-5-[1-(2-oxaspiro[3.3]heptan-6-yl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridine;bis(3-methyl-5-[1-[(1R,5S)-3-(1,4-oxazepan-4-yl)-6-bicyclo[3.1.0]hexanyl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine) is sourced from PubChem (CID 157163616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).