dipotassium;(1S,2R)-2-[2-[[3-(1H-benzimidazol-2-yl)-1,1,2,2,3,3-hexadeuteriopropyl]-methylamino]ethyl]-4,4,6-trifluoro-1-propan-2-yl-1,3-dihydronaphthalen-2-ol;[(1S,2R)-2-[2-[[3-(1H-benzimidazol-2-yl)-1,1,2,2,3,3-hexadeuteriopropyl]-methylamino]ethyl]-4,4,6-trifluoro-1-propan-2-yl-1,3-dihydronaphthalen-2-yl] cyclopropanecarboxylate;cyclopropanecarbonyl chloride;hydride;oxido formate

C61H75ClF6K2N6O7 — CID 159521907

About dipotassium;(1S,2R)-2-[2-[[3-(1H-benzimidazol-2-yl)-1,1,2,2,3,3-hexadeuteriopropyl]-methylamino]ethyl]-4,4,6-trifluoro-1-propan-2-yl-1,3-dihydronaphthalen-2-ol;[(1S,2R)-2-[2-[[3-(1H-benzimidazol-2-yl)-1,1,2,2,3,3-hexadeuteriopropyl]-methylamino]ethyl]-4,4,6-trifluoro-1-propan-2-yl-1,3-dihydronaphthalen-2-yl] cyclopropanecarboxylate;cyclopropanecarbonyl chloride;hydride;oxido formate

dipotassium;(1S,2R)-2-[2-[[3-(1H-benzimidazol-2-yl)-1,1,2,2,3,3-hexadeuteriopropyl]-methylamino]ethyl]-4,4,6-trifluoro-1-propan-2-yl-1,3-dihydronaphthalen-2-ol;[(1S,2R)-2-[2-[[3-(1H-benzimidazol-2-yl)-1,1,2,2,3,3-hexadeuteriopropyl]-methylamino]ethyl]-4,4,6-trifluoro-1-propan-2-yl-1,3-dihydronaphthalen-2-yl] cyclopropanecarboxylate;cyclopropanecarbonyl chloride;hydride;oxido formate (PubChem CID 159521907) has the molecular formula C61H75ClF6K2N6O7 and a molecular weight of 1244.02 g/mol. Its IUPAC name is dipotassium;(1S,2R)-2-[2-[[3-(1H-benzimidazol-2-yl)-1,1,2,2,3,3-hexadeuteriopropyl]-methylamino]ethyl]-4,4,6-trifluoro-1-propan-2-yl-1,3-dihydronaphthalen-2-ol;[(1S,2R)-2-[2-[[3-(1H-benzimidazol-2-yl)-1,1,2,2,3,3-hexadeuteriopropyl]-methylamino]ethyl]-4,4,6-trifluoro-1-propan-2-yl-1,3-dihydronaphthalen-2-yl] cyclopropanecarboxylate;cyclopropanecarbonyl chloride;hydride;oxido formate.

Molecular Properties

• Compound Name: dipotassium;(1S,2R)-2-[2-[[3-(1H-benzimidazol-2-yl)-1,1,2,2,3,3-hexadeuteriopropyl]-methylamino]ethyl]-4,4,6-trifluoro-1-propan-2-yl-1,3-dihydronaphthalen-2-ol;[(1S,2R)-2-[2-[[3-(1H-benzimidazol-2-yl)-1,1,2,2,3,3-hexadeuteriopropyl]-methylamino]ethyl]-4,4,6-trifluoro-1-propan-2-yl-1,3-dihydronaphthalen-2-yl] cyclopropanecarboxylate;cyclopropanecarbonyl chloride;hydride;oxido formate
• PubChem CID: 159521907
• Molecular Formula: C61H75ClF6K2N6O7
• Molecular Weight: 1244.02 g/mol
• Exact Mass: 1242.53
• IUPAC Name: dipotassium;(1S,2R)-2-[2-[[3-(1H-benzimidazol-2-yl)-1,1,2,2,3,3-hexadeuteriopropyl]-methylamino]ethyl]-4,4,6-trifluoro-1-propan-2-yl-1,3-dihydronaphthalen-2-ol;[(1S,2R)-2-[2-[[3-(1H-benzimidazol-2-yl)-1,1,2,2,3,3-hexadeuteriopropyl]-methylamino]ethyl]-4,4,6-trifluoro-1-propan-2-yl-1,3-dihydronaphthalen-2-yl] cyclopropanecarboxylate;cyclopropanecarbonyl chloride;hydride;oxido formate
• SMILES: O=C(Cl)C1CC1.O=CO[O-].[2H]C([2H])(c1nc2ccccc2[nH]1)C([2H])([2H])C([2H])([2H])N(C)CC[C@@]1(O)CC(F)(F)c2cc(F)ccc2[C@@H]1C(C)C.[2H]C([2H])(c1nc2ccccc2[nH]1)C([2H])([2H])C([2H])([2H])N(C)CC[C@@]1(OC(=O)C2CC2)CC(F)(F)c2cc(F)ccc2[C@@H]1C(C)C.[H-].[K+].[K+]
• InChI: InChI=1S/C30H36F3N3O2.C26H32F3N3O.C4H5ClO.CH2O3.2K.H/c1-19(2)27-22-13-12-21(31)17-23(22)30(32,33)18-29(27,38-28(37)20-10-11-20)14-16-36(3)15-6-9-26-34-24-7-4-5-8-25(24)35-26;1-17(2)24-19-11-10-18(27)15-20(19)26(28,29)16-25(24,33)12-14-32(3)13-6-9-23-30-21-7-4-5-8-22(21)31-23;5-4(6)3-1-2-3;2-1-4-3;;;/h4-5,7-8,12-13,17,19-20,27H,6,9-11,14-16,18H2,1-3H3,(H,34,35);4-5,7-8,10-11,15,17,24,33H,6,9,12-14,16H2,1-3H3,(H,30,31);3H,1-2H2;1,3H;;;/q;;;;2*+1;-1/p-1/t27-,29+;24-,25+;;;;;/m00...../s1/i6D2,9D2,15D2;6D2,9D2,13D2
• InChIKey: XOGMSTKXBIRTHA-IUMWSFSCSA-M
• XLogP: 5.92
• TPSA: 176.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 20
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1244.02
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;(1S,2R)-2-[2-[[3-(1H-benzimidazol-2-yl)-1,1,2,2,3,3-hexadeuteriopropyl]-methylamino]ethyl]-4,4,6-trifluoro-1-propan-2-yl-1,3-dihydronaphthalen-2-ol;[(1S,2R)-2-[2-[[3-(1H-benzimidazol-2-yl)-1,1,2,2,3,3-hexadeuteriopropyl]-methylamino]ethyl]-4,4,6-trifluoro-1-propan-2-yl-1,3-dihydronaphthalen-2-yl] cyclopropanecarboxylate;cyclopropanecarbonyl chloride;hydride;oxido formate?

The IUPAC name of dipotassium;(1S,2R)-2-[2-[[3-(1H-benzimidazol-2-yl)-1,1,2,2,3,3-hexadeuteriopropyl]-methylamino]ethyl]-4,4,6-trifluoro-1-propan-2-yl-1,3-dihydronaphthalen-2-ol;[(1S,2R)-2-[2-[[3-(1H-benzimidazol-2-yl)-1,1,2,2,3,3-hexadeuteriopropyl]-methylamino]ethyl]-4,4,6-trifluoro-1-propan-2-yl-1,3-dihydronaphthalen-2-yl] cyclopropanecarboxylate;cyclopropanecarbonyl chloride;hydride;oxido formate (CID 159521907) is dipotassium;(1S,2R)-2-[2-[[3-(1H-benzimidazol-2-yl)-1,1,2,2,3,3-hexadeuteriopropyl]-methylamino]ethyl]-4,4,6-trifluoro-1-propan-2-yl-1,3-dihydronaphthalen-2-ol;[(1S,2R)-2-[2-[[3-(1H-benzimidazol-2-yl)-1,1,2,2,3,3-hexadeuteriopropyl]-methylamino]ethyl]-4,4,6-trifluoro-1-propan-2-yl-1,3-dihydronaphthalen-2-yl] cyclopropanecarboxylate;cyclopropanecarbonyl chloride;hydride;oxido formate.

What is the SMILES notation for dipotassium;(1S,2R)-2-[2-[[3-(1H-benzimidazol-2-yl)-1,1,2,2,3,3-hexadeuteriopropyl]-methylamino]ethyl]-4,4,6-trifluoro-1-propan-2-yl-1,3-dihydronaphthalen-2-ol;[(1S,2R)-2-[2-[[3-(1H-benzimidazol-2-yl)-1,1,2,2,3,3-hexadeuteriopropyl]-methylamino]ethyl]-4,4,6-trifluoro-1-propan-2-yl-1,3-dihydronaphthalen-2-yl] cyclopropanecarboxylate;cyclopropanecarbonyl chloride;hydride;oxido formate?

The canonical SMILES for dipotassium;(1S,2R)-2-[2-[[3-(1H-benzimidazol-2-yl)-1,1,2,2,3,3-hexadeuteriopropyl]-methylamino]ethyl]-4,4,6-trifluoro-1-propan-2-yl-1,3-dihydronaphthalen-2-ol;[(1S,2R)-2-[2-[[3-(1H-benzimidazol-2-yl)-1,1,2,2,3,3-hexadeuteriopropyl]-methylamino]ethyl]-4,4,6-trifluoro-1-propan-2-yl-1,3-dihydronaphthalen-2-yl] cyclopropanecarboxylate;cyclopropanecarbonyl chloride;hydride;oxido formate is O=C(Cl)C1CC1.O=CO[O-].[2H]C([2H])(c1nc2ccccc2[nH]1)C([2H])([2H])C([2H])([2H])N(C)CC[C@@]1(O)CC(F)(F)c2cc(F)ccc2[C@@H]1C(C)C.[2H]C([2H])(c1nc2ccccc2[nH]1)C([2H])([2H])C([2H])([2H])N(C)CC[C@@]1(OC(=O)C2CC2)CC(F)(F)c2cc(F)ccc2[C@@H]1C(C)C.[H-].[K+].[K+].

What is the InChIKey of dipotassium;(1S,2R)-2-[2-[[3-(1H-benzimidazol-2-yl)-1,1,2,2,3,3-hexadeuteriopropyl]-methylamino]ethyl]-4,4,6-trifluoro-1-propan-2-yl-1,3-dihydronaphthalen-2-ol;[(1S,2R)-2-[2-[[3-(1H-benzimidazol-2-yl)-1,1,2,2,3,3-hexadeuteriopropyl]-methylamino]ethyl]-4,4,6-trifluoro-1-propan-2-yl-1,3-dihydronaphthalen-2-yl] cyclopropanecarboxylate;cyclopropanecarbonyl chloride;hydride;oxido formate?

The InChIKey is XOGMSTKXBIRTHA-IUMWSFSCSA-M. The full InChI is InChI=1S/C30H36F3N3O2.C26H32F3N3O.C4H5ClO.CH2O3.2K.H/c1-19(2)27-22-13-12-21(31)17-23(22)30(32,33)18-29(27,38-28(37)20-10-11-20)14-16-36(3)15-6-9-26-34-24-7-4-5-8-25(24)35-26;1-17(2)24-19-11-10-18(27)15-20(19)26(28,29)16-25(24,33)12-14-32(3)13-6-9-23-30-21-7-4-5-8-22(21)31-23;5-4(6)3-1-2-3;2-1-4-3;;;/h4-5,7-8,12-13,17,19-20,27H,6,9-11,14-16,18H2,1-3H3,(H,34,35);4-5,7-8,10-11,15,17,24,33H,6,9,12-14,16H2,1-3H3,(H,30,31);3H,1-2H2;1,3H;;;/q;;;;2*+1;-1/p-1/t27-,29+;24-,25+;;;;;/m00...../s1/i6D2,9D2,15D2;6D2,9D2,13D2;;;;;.

What are the key properties of dipotassium;(1S,2R)-2-[2-[[3-(1H-benzimidazol-2-yl)-1,1,2,2,3,3-hexadeuteriopropyl]-methylamino]ethyl]-4,4,6-trifluoro-1-propan-2-yl-1,3-dihydronaphthalen-2-ol;[(1S,2R)-2-[2-[[3-(1H-benzimidazol-2-yl)-1,1,2,2,3,3-hexadeuteriopropyl]-methylamino]ethyl]-4,4,6-trifluoro-1-propan-2-yl-1,3-dihydronaphthalen-2-yl] cyclopropanecarboxylate;cyclopropanecarbonyl chloride;hydride;oxido formate?

dipotassium;(1S,2R)-2-[2-[[3-(1H-benzimidazol-2-yl)-1,1,2,2,3,3-hexadeuteriopropyl]-methylamino]ethyl]-4,4,6-trifluoro-1-propan-2-yl-1,3-dihydronaphthalen-2-ol;[(1S,2R)-2-[2-[[3-(1H-benzimidazol-2-yl)-1,1,2,2,3,3-hexadeuteriopropyl]-methylamino]ethyl]-4,4,6-trifluoro-1-propan-2-yl-1,3-dihydronaphthalen-2-yl] cyclopropanecarboxylate;cyclopropanecarbonyl chloride;hydride;oxido formate has a molecular weight of 1244.02 g/mol, XLogP of 5.92, 20 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;(1S,2R)-2-[2-[[3-(1H-benzimidazol-2-yl)-1,1,2,2,3,3-hexadeuteriopropyl]-methylamino]ethyl]-4,4,6-trifluoro-1-propan-2-yl-1,3-dihydronaphthalen-2-ol;[(1S,2R)-2-[2-[[3-(1H-benzimidazol-2-yl)-1,1,2,2,3,3-hexadeuteriopropyl]-methylamino]ethyl]-4,4,6-trifluoro-1-propan-2-yl-1,3-dihydronaphthalen-2-yl] cyclopropanecarboxylate;cyclopropanecarbonyl chloride;hydride;oxido formate is sourced from PubChem (CID 159521907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).