1-[3-(1-methylimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(3-methyl-3-pyridin-3-yl-1,4-dihydroisoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(2S)-1-[(3S)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(2R)-1-[(3S)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol

C120H118F15N11O10 — CID 167631122

About 1-[3-(1-methylimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(3-methyl-3-pyridin-3-yl-1,4-dihydroisoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(2S)-1-[(3S)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(2R)-1-[(3S)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol

1-[3-(1-methylimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(3-methyl-3-pyridin-3-yl-1,4-dihydroisoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(2S)-1-[(3S)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(2R)-1-[(3S)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (PubChem CID 167631122) has the molecular formula C120H118F15N11O10 and a molecular weight of 2159.30 g/mol. Its IUPAC name is 1-[3-(1-methylimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(3-methyl-3-pyridin-3-yl-1,4-dihydroisoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(2S)-1-[(3S)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(2R)-1-[(3S)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.

Molecular Properties

• Compound Name: 1-[3-(1-methylimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(3-methyl-3-pyridin-3-yl-1,4-dihydroisoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(2S)-1-[(3S)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(2R)-1-[(3S)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
• PubChem CID: 167631122
• Molecular Formula: C120H118F15N11O10
• Molecular Weight: 2159.30 g/mol
• Exact Mass: 2157.88
• IUPAC Name: 1-[3-(1-methylimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(3-methyl-3-pyridin-3-yl-1,4-dihydroisoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(2S)-1-[(3S)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(2R)-1-[(3S)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
• SMILES: CC1(c2cccnc2)Cc2ccccc2CN1CC(O)COc1ccc(C(F)(F)F)cc1.Cn1ccnc1C1Cc2ccccc2CN1CC(O)COc1ccc(C(F)(F)F)cc1.OC(COc1ccc(C(F)(F)F)cc1)CN1Cc2ccccc2CC1c1cccnc1.O[C@@H](COc1ccc(C(F)(F)F)cc1)CN1Cc2ccccc2C[C@H]1c1cccnc1.O[C@H](COc1ccc(C(F)(F)F)cc1)CN1Cc2ccccc2C[C@H]1c1cccnc1
• InChI: InChI=1S/C25H25F3N2O2.3C24H23F3N2O2.C23H24F3N3O2/c1-24(21-7-4-12-29-14-21)13-18-5-2-3-6-19(18)15-30(24)16-22(31)17-32-23-10-8-20(9-11-23)25(26,27)28;3*25-24(26,27)20-7-9-22(10-8-20)31-16-21(30)15-29-14-19-5-2-1-4-17(19)12-23(29)18-6-3-11-28-13-18;1-28-11-10-27-22(28)21-12-16-4-2-3-5-17(16)13-29(21)14-19(30)15-31-20-8-6-18(7-9-20)23(24,25)26/h2-12,14,22,31H,13,15-17H2,1H3;3*1-11,13,21,23,30H,12,14-16H2;2-11,19,21,30H,12-15H2,1H3/t;21-,23+;21-,23-;;/m.10../s1
• InChIKey: NUTSPVHRUPXRNG-WLWBVBMDSA-N
• XLogP: 22.71
• TPSA: 232.88 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 30
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2159.30
LogP ≤ 5	22.71
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methylimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(3-methyl-3-pyridin-3-yl-1,4-dihydroisoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(2S)-1-[(3S)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(2R)-1-[(3S)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?

The IUPAC name of 1-[3-(1-methylimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(3-methyl-3-pyridin-3-yl-1,4-dihydroisoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(2S)-1-[(3S)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(2R)-1-[(3S)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (CID 167631122) is 1-[3-(1-methylimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(3-methyl-3-pyridin-3-yl-1,4-dihydroisoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(2S)-1-[(3S)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(2R)-1-[(3S)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.

What is the SMILES notation for 1-[3-(1-methylimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(3-methyl-3-pyridin-3-yl-1,4-dihydroisoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(2S)-1-[(3S)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(2R)-1-[(3S)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?

The canonical SMILES for 1-[3-(1-methylimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(3-methyl-3-pyridin-3-yl-1,4-dihydroisoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(2S)-1-[(3S)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(2R)-1-[(3S)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol is CC1(c2cccnc2)Cc2ccccc2CN1CC(O)COc1ccc(C(F)(F)F)cc1.Cn1ccnc1C1Cc2ccccc2CN1CC(O)COc1ccc(C(F)(F)F)cc1.OC(COc1ccc(C(F)(F)F)cc1)CN1Cc2ccccc2CC1c1cccnc1.O[C@@H](COc1ccc(C(F)(F)F)cc1)CN1Cc2ccccc2C[C@H]1c1cccnc1.O[C@H](COc1ccc(C(F)(F)F)cc1)CN1Cc2ccccc2C[C@H]1c1cccnc1.

What is the InChIKey of 1-[3-(1-methylimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(3-methyl-3-pyridin-3-yl-1,4-dihydroisoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(2S)-1-[(3S)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(2R)-1-[(3S)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?

The InChIKey is NUTSPVHRUPXRNG-WLWBVBMDSA-N. The full InChI is InChI=1S/C25H25F3N2O2.3C24H23F3N2O2.C23H24F3N3O2/c1-24(21-7-4-12-29-14-21)13-18-5-2-3-6-19(18)15-30(24)16-22(31)17-32-23-10-8-20(9-11-23)25(26,27)28;3*25-24(26,27)20-7-9-22(10-8-20)31-16-21(30)15-29-14-19-5-2-1-4-17(19)12-23(29)18-6-3-11-28-13-18;1-28-11-10-27-22(28)21-12-16-4-2-3-5-17(16)13-29(21)14-19(30)15-31-20-8-6-18(7-9-20)23(24,25)26/h2-12,14,22,31H,13,15-17H2,1H3;3*1-11,13,21,23,30H,12,14-16H2;2-11,19,21,30H,12-15H2,1H3/t;21-,23+;21-,23-;;/m.10../s1.

What are the key properties of 1-[3-(1-methylimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(3-methyl-3-pyridin-3-yl-1,4-dihydroisoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(2S)-1-[(3S)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(2R)-1-[(3S)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?

1-[3-(1-methylimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(3-methyl-3-pyridin-3-yl-1,4-dihydroisoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(2S)-1-[(3S)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(2R)-1-[(3S)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol has a molecular weight of 2159.30 g/mol, XLogP of 22.71, 30 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(1-methylimidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(3-methyl-3-pyridin-3-yl-1,4-dihydroisoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(2S)-1-[(3S)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;(2R)-1-[(3S)-3-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 167631122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).