(1S)-1-[1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]ethanol;4-[3-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[2-(cyclopropylmethyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-cyclopropyl-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-(oxolan-2-yl)imidazol-4-yl]pyridin-2-amine;3-methyl-5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]pyridin-2-amine

C148H188F6N32O8 — CID 161467939

About (1S)-1-[1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]ethanol;4-[3-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[2-(cyclopropylmethyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-cyclopropyl-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-(oxolan-2-yl)imidazol-4-yl]pyridin-2-amine;3-methyl-5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]pyridin-2-amine

(1S)-1-[1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]ethanol;4-[3-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[2-(cyclopropylmethyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-cyclopropyl-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-(oxolan-2-yl)imidazol-4-yl]pyridin-2-amine;3-methyl-5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]pyridin-2-amine (PubChem CID 161467939) has the molecular formula C148H188F6N32O8 and a molecular weight of 2657.34 g/mol. Its IUPAC name is (1S)-1-[1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]ethanol;4-[3-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[2-(cyclopropylmethyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-cyclopropyl-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-(oxolan-2-yl)imidazol-4-yl]pyridin-2-amine;3-methyl-5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: (1S)-1-[1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]ethanol;4-[3-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[2-(cyclopropylmethyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-cyclopropyl-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-(oxolan-2-yl)imidazol-4-yl]pyridin-2-amine;3-methyl-5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]pyridin-2-amine
• PubChem CID: 161467939
• Molecular Formula: C148H188F6N32O8
• Molecular Weight: 2657.34 g/mol
• Exact Mass: 2655.52
• IUPAC Name: (1S)-1-[1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]ethanol;4-[3-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[2-(cyclopropylmethyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-cyclopropyl-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-(oxolan-2-yl)imidazol-4-yl]pyridin-2-amine;3-methyl-5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]pyridin-2-amine
• SMILES: Cc1cc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(C(C)C)n2)cnc1N.Cc1cc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(C3CC3)n2)cnc1N.Cc1cc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(C3CCCO3)n2)cnc1N.Cc1cc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(CC3CC3)n2)cnc1N.Cc1cc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(CC3CC3)n2)cnc1N.Cc1ncc(-c2cn(C34CC(C3)C4)c([C@H](C)O)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(CC3CC3)n2)cc1C(F)(F)F
• InChI: InChI=1S/C23H27F3N4O.C22H29N5O2.2C22H29N5O.C21H27N5O.C21H29N5O.C17H18F3N3O/c1-15-18(23(24,25)26)9-17(10-27-15)19-11-30(20(28-19)8-16-2-3-16)22-12-21(13-22,14-22)29-4-6-31-7-5-29;1-15-9-16(10-24-19(15)23)17-11-27(20(25-17)18-3-2-6-29-18)22-12-21(13-22,14-22)26-4-7-28-8-5-26;2*1-15-8-17(10-24-20(15)23)18-11-27(19(25-18)9-16-2-3-16)22-12-21(13-22,14-22)26-4-6-28-7-5-26;1-14-8-16(9-23-18(14)22)17-10-26(19(24-17)15-2-3-15)21-11-20(12-21,13-21)25-4-6-27-7-5-25;1-14(2)19-24-17(16-8-15(3)18(22)23-9-16)10-26(19)21-11-20(12-21,13-21)25-4-6-27-7-5-25;1-9-13(17(18,19)20)3-12(7-21-9)14-8-23(15(22-14)10(2)24)16-4-11(5-16)6-16/h9-11,16H,2-8,12-14H2,1H3;9-11,18H,2-8,12-14H2,1H3,(H2,23,24);2*8,10-11,16H,2-7,9,12-14H2,1H3,(H2,23,24);8-10,15H,2-7,11-13H2,1H3,(H2,22,23);8-10,14H,4-7,11-13H2,1-3H3,(H2,22,23);3,7-8,10-11,24H,4-6H2,1-2H3/t;;;;;;10-,11?,16?/m......0/s1
• InChIKey: WCRMTGVMDDKXJF-BHGHLZHYSA-N
• XLogP: 21.78
• TPSA: 449.35 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 40
• Rotatable Bonds: 30
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2657.34
LogP ≤ 5	21.78
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]ethanol;4-[3-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[2-(cyclopropylmethyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-cyclopropyl-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-(oxolan-2-yl)imidazol-4-yl]pyridin-2-amine;3-methyl-5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]pyridin-2-amine?

The IUPAC name of (1S)-1-[1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]ethanol;4-[3-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[2-(cyclopropylmethyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-cyclopropyl-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-(oxolan-2-yl)imidazol-4-yl]pyridin-2-amine;3-methyl-5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]pyridin-2-amine (CID 161467939) is (1S)-1-[1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]ethanol;4-[3-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[2-(cyclopropylmethyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-cyclopropyl-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-(oxolan-2-yl)imidazol-4-yl]pyridin-2-amine;3-methyl-5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]pyridin-2-amine.

What is the SMILES notation for (1S)-1-[1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]ethanol;4-[3-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[2-(cyclopropylmethyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-cyclopropyl-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-(oxolan-2-yl)imidazol-4-yl]pyridin-2-amine;3-methyl-5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]pyridin-2-amine?

The canonical SMILES for (1S)-1-[1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]ethanol;4-[3-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[2-(cyclopropylmethyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-cyclopropyl-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-(oxolan-2-yl)imidazol-4-yl]pyridin-2-amine;3-methyl-5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]pyridin-2-amine is Cc1cc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(C(C)C)n2)cnc1N.Cc1cc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(C3CC3)n2)cnc1N.Cc1cc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(C3CCCO3)n2)cnc1N.Cc1cc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(CC3CC3)n2)cnc1N.Cc1cc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(CC3CC3)n2)cnc1N.Cc1ncc(-c2cn(C34CC(C3)C4)c([C@H](C)O)n2)cc1C(F)(F)F.Cc1ncc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(CC3CC3)n2)cc1C(F)(F)F.

What is the InChIKey of (1S)-1-[1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]ethanol;4-[3-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[2-(cyclopropylmethyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-cyclopropyl-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-(oxolan-2-yl)imidazol-4-yl]pyridin-2-amine;3-methyl-5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]pyridin-2-amine?

The InChIKey is WCRMTGVMDDKXJF-BHGHLZHYSA-N. The full InChI is InChI=1S/C23H27F3N4O.C22H29N5O2.2C22H29N5O.C21H27N5O.C21H29N5O.C17H18F3N3O/c1-15-18(23(24,25)26)9-17(10-27-15)19-11-30(20(28-19)8-16-2-3-16)22-12-21(13-22,14-22)29-4-6-31-7-5-29;1-15-9-16(10-24-19(15)23)17-11-27(20(25-17)18-3-2-6-29-18)22-12-21(13-22,14-22)26-4-7-28-8-5-26;2*1-15-8-17(10-24-20(15)23)18-11-27(19(25-18)9-16-2-3-16)22-12-21(13-22,14-22)26-4-6-28-7-5-26;1-14-8-16(9-23-18(14)22)17-10-26(19(24-17)15-2-3-15)21-11-20(12-21,13-21)25-4-6-27-7-5-25;1-14(2)19-24-17(16-8-15(3)18(22)23-9-16)10-26(19)21-11-20(12-21,13-21)25-4-6-27-7-5-25;1-9-13(17(18,19)20)3-12(7-21-9)14-8-23(15(22-14)10(2)24)16-4-11(5-16)6-16/h9-11,16H,2-8,12-14H2,1H3;9-11,18H,2-8,12-14H2,1H3,(H2,23,24);2*8,10-11,16H,2-7,9,12-14H2,1H3,(H2,23,24);8-10,15H,2-7,11-13H2,1H3,(H2,22,23);8-10,14H,4-7,11-13H2,1-3H3,(H2,22,23);3,7-8,10-11,24H,4-6H2,1-2H3/t;;;;;;10-,11?,16?/m......0/s1.

What are the key properties of (1S)-1-[1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]ethanol;4-[3-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[2-(cyclopropylmethyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-cyclopropyl-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-(oxolan-2-yl)imidazol-4-yl]pyridin-2-amine;3-methyl-5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]pyridin-2-amine?

(1S)-1-[1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]ethanol;4-[3-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[2-(cyclopropylmethyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-cyclopropyl-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-(oxolan-2-yl)imidazol-4-yl]pyridin-2-amine;3-methyl-5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]pyridin-2-amine has a molecular weight of 2657.34 g/mol, XLogP of 21.78, 30 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1-[1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]ethanol;4-[3-[2-(cyclopropylmethyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[2-(cyclopropylmethyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-cyclopropyl-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-(oxolan-2-yl)imidazol-4-yl]pyridin-2-amine;3-methyl-5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 161467939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).