1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-piperidin-3-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(1H-pyrazol-5-yl)phenoxy]propan-2-ol

C140H162N14O13 — CID 159666581

About 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-piperidin-3-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(1H-pyrazol-5-yl)phenoxy]propan-2-ol

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-piperidin-3-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(1H-pyrazol-5-yl)phenoxy]propan-2-ol (PubChem CID 159666581) has the molecular formula C140H162N14O13 and a molecular weight of 2248.92 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-piperidin-3-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(1H-pyrazol-5-yl)phenoxy]propan-2-ol.

Molecular Properties

• Compound Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-piperidin-3-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(1H-pyrazol-5-yl)phenoxy]propan-2-ol
• PubChem CID: 159666581
• Molecular Formula: C140H162N14O13
• Molecular Weight: 2248.92 g/mol
• Exact Mass: 2247.24
• IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-piperidin-3-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(1H-pyrazol-5-yl)phenoxy]propan-2-ol
• SMILES: Cn1cc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cn1.Cn1cnc2ccc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)cc21.OC(COCc1ccc(CN2CCOCC2)cc1)CN1CCc2ccccc2C1.OC(COc1ccc(-c2ccn[nH]2)cc1)CN1CCc2ccccc2C1.OC(COc1ccc(C2CCCNC2)cc1)CN1CCc2ccccc2C1.OC(COc1cccc(-c2ccccc2)c1)CN1CCc2ccccc2C1
• InChI: InChI=1S/C26H27N3O2.C24H32N2O3.C24H25NO2.C23H30N2O2.C22H25N3O2.C21H23N3O2/c1-28-18-27-25-10-9-21(14-26(25)28)20-7-4-8-24(13-20)31-17-23(30)16-29-12-11-19-5-2-3-6-22(19)15-29;27-24(17-26-10-9-22-3-1-2-4-23(22)16-26)19-29-18-21-7-5-20(6-8-21)15-25-11-13-28-14-12-25;26-23(17-25-14-13-20-9-4-5-10-22(20)16-25)18-27-24-12-6-11-21(15-24)19-7-2-1-3-8-19;26-22(16-25-13-11-18-4-1-2-5-21(18)15-25)17-27-23-9-7-19(8-10-23)20-6-3-12-24-14-20;1-24-13-20(12-23-24)18-7-4-8-22(11-18)27-16-21(26)15-25-10-9-17-5-2-3-6-19(17)14-25;25-19(14-24-12-10-16-3-1-2-4-18(16)13-24)15-26-20-7-5-17(6-8-20)21-9-11-22-23-21/h2-10,13-14,18,23,30H,11-12,15-17H2,1H3;1-8,24,27H,9-19H2;1-12,15,23,26H,13-14,16-18H2;1-2,4-5,7-10,20,22,24,26H,3,6,11-17H2;2-8,11-13,21,26H,9-10,14-16H2,1H3;1-9,11,19,25H,10,12-15H2,(H,22,23)
• InChIKey: MTMCXTPOFIKRRA-UHFFFAOYSA-N
• XLogP: 19.36
• TPSA: 285.02 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 38
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2248.92
LogP ≤ 5	19.36
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-piperidin-3-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(1H-pyrazol-5-yl)phenoxy]propan-2-ol?

The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-piperidin-3-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(1H-pyrazol-5-yl)phenoxy]propan-2-ol (CID 159666581) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-piperidin-3-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(1H-pyrazol-5-yl)phenoxy]propan-2-ol.

What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-piperidin-3-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(1H-pyrazol-5-yl)phenoxy]propan-2-ol?

The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-piperidin-3-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(1H-pyrazol-5-yl)phenoxy]propan-2-ol is Cn1cc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cn1.Cn1cnc2ccc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)cc21.OC(COCc1ccc(CN2CCOCC2)cc1)CN1CCc2ccccc2C1.OC(COc1ccc(-c2ccn[nH]2)cc1)CN1CCc2ccccc2C1.OC(COc1ccc(C2CCCNC2)cc1)CN1CCc2ccccc2C1.OC(COc1cccc(-c2ccccc2)c1)CN1CCc2ccccc2C1.

What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-piperidin-3-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(1H-pyrazol-5-yl)phenoxy]propan-2-ol?

The InChIKey is MTMCXTPOFIKRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2.C24H32N2O3.C24H25NO2.C23H30N2O2.C22H25N3O2.C21H23N3O2/c1-28-18-27-25-10-9-21(14-26(25)28)20-7-4-8-24(13-20)31-17-23(30)16-29-12-11-19-5-2-3-6-22(19)15-29;27-24(17-26-10-9-22-3-1-2-4-23(22)16-26)19-29-18-21-7-5-20(6-8-21)15-25-11-13-28-14-12-25;26-23(17-25-14-13-20-9-4-5-10-22(20)16-25)18-27-24-12-6-11-21(15-24)19-7-2-1-3-8-19;26-22(16-25-13-11-18-4-1-2-5-21(18)15-25)17-27-23-9-7-19(8-10-23)20-6-3-12-24-14-20;1-24-13-20(12-23-24)18-7-4-8-22(11-18)27-16-21(26)15-25-10-9-17-5-2-3-6-19(17)14-25;25-19(14-24-12-10-16-3-1-2-4-18(16)13-24)15-26-20-7-5-17(6-8-20)21-9-11-22-23-21/h2-10,13-14,18,23,30H,11-12,15-17H2,1H3;1-8,24,27H,9-19H2;1-12,15,23,26H,13-14,16-18H2;1-2,4-5,7-10,20,22,24,26H,3,6,11-17H2;2-8,11-13,21,26H,9-10,14-16H2,1H3;1-9,11,19,25H,10,12-15H2,(H,22,23).

What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-piperidin-3-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(1H-pyrazol-5-yl)phenoxy]propan-2-ol?

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-piperidin-3-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(1H-pyrazol-5-yl)phenoxy]propan-2-ol has a molecular weight of 2248.92 g/mol, XLogP of 19.36, 38 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1-methylpyrazol-4-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-piperidin-3-ylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(1H-pyrazol-5-yl)phenoxy]propan-2-ol is sourced from PubChem (CID 159666581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).