(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;(2S)-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-methylpyrrolo[2,3-b]pyridin-6-yl)phenoxy]propan-2-ol;1-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-[3-(3-methylbenzimidazol-5-yl)phenoxy]-3-[1-(phenoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol

C166H174N18O14 — CID 158125129

About (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;(2S)-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-methylpyrrolo[2,3-b]pyridin-6-yl)phenoxy]propan-2-ol;1-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-[3-(3-methylbenzimidazol-5-yl)phenoxy]-3-[1-(phenoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol

(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;(2S)-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-methylpyrrolo[2,3-b]pyridin-6-yl)phenoxy]propan-2-ol;1-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-[3-(3-methylbenzimidazol-5-yl)phenoxy]-3-[1-(phenoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol (PubChem CID 158125129) has the molecular formula C166H174N18O14 and a molecular weight of 2645.33 g/mol. Its IUPAC name is (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;(2S)-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-methylpyrrolo[2,3-b]pyridin-6-yl)phenoxy]propan-2-ol;1-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-[3-(3-methylbenzimidazol-5-yl)phenoxy]-3-[1-(phenoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol.

Molecular Properties

• Compound Name: (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;(2S)-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-methylpyrrolo[2,3-b]pyridin-6-yl)phenoxy]propan-2-ol;1-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-[3-(3-methylbenzimidazol-5-yl)phenoxy]-3-[1-(phenoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol
• PubChem CID: 158125129
• Molecular Formula: C166H174N18O14
• Molecular Weight: 2645.33 g/mol
• Exact Mass: 2643.35
• IUPAC Name: (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;(2S)-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-methylpyrrolo[2,3-b]pyridin-6-yl)phenoxy]propan-2-ol;1-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-[3-(3-methylbenzimidazol-5-yl)phenoxy]-3-[1-(phenoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol
• SMILES: CCC1c2ccccc2CCN1CC(O)COc1cccc(-c2ccc3ncn(C)c3c2)c1.COc1ccc2c(c1)CN(CC(O)COc1cccc(-c3ccc4ncn(C)c4c3)c1)CC2.Cn1ccc2ccc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)nc21.Cn1cnc2ccc(-c3cccc(OCC(O)CN4CCc5ccccc5C4COc4ccccc4)c3)cc21.Cn1cnc2ccc(-c3cccc(OC[C@@H](O)CN4CCc5ccccc5C4)c3)cc21.Cn1cnc2ccc(-c3cccc(OC[C@H](O)CN4CCc5ccccc5C4)c3)cc21
• InChI: InChI=1S/C33H33N3O3.C28H31N3O2.C27H29N3O3.3C26H27N3O2/c1-35-23-34-31-15-14-26(19-32(31)35)25-9-7-12-29(18-25)38-21-27(37)20-36-17-16-24-8-5-6-13-30(24)33(36)22-39-28-10-3-2-4-11-28;1-3-27-25-10-5-4-7-20(25)13-14-31(27)17-23(32)18-33-24-9-6-8-21(15-24)22-11-12-26-28(16-22)30(2)19-29-26;1-29-18-28-26-9-7-21(14-27(26)29)20-4-3-5-25(12-20)33-17-23(31)16-30-11-10-19-6-8-24(32-2)13-22(19)15-30;1-28-13-11-20-9-10-25(27-26(20)28)21-7-4-8-24(15-21)31-18-23(30)17-29-14-12-19-5-2-3-6-22(19)16-29;2*1-28-18-27-25-10-9-21(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/h2-15,18-19,23,27,33,37H,16-17,20-22H2,1H3;4-12,15-16,19,23,27,32H,3,13-14,17-18H2,1-2H3;3-9,12-14,18,23,31H,10-11,15-17H2,1-2H3;2-11,13,15,23,30H,12,14,16-18H2,1H3;2*2-10,13-14,18,23,30H,11-12,15-17H2,1H3/t;;;;2*23-/m....10/s1
• InChIKey: FSBOOQAYZRXMJN-KUOJEKLNSA-N
• XLogP: 26.81
• TPSA: 321.58 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 41
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2645.33
LogP ≤ 5	26.81
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;(2S)-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-methylpyrrolo[2,3-b]pyridin-6-yl)phenoxy]propan-2-ol;1-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-[3-(3-methylbenzimidazol-5-yl)phenoxy]-3-[1-(phenoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol?

The IUPAC name of (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;(2S)-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-methylpyrrolo[2,3-b]pyridin-6-yl)phenoxy]propan-2-ol;1-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-[3-(3-methylbenzimidazol-5-yl)phenoxy]-3-[1-(phenoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol (CID 158125129) is (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;(2S)-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-methylpyrrolo[2,3-b]pyridin-6-yl)phenoxy]propan-2-ol;1-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-[3-(3-methylbenzimidazol-5-yl)phenoxy]-3-[1-(phenoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol.

What is the SMILES notation for (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;(2S)-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-methylpyrrolo[2,3-b]pyridin-6-yl)phenoxy]propan-2-ol;1-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-[3-(3-methylbenzimidazol-5-yl)phenoxy]-3-[1-(phenoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol?

The canonical SMILES for (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;(2S)-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-methylpyrrolo[2,3-b]pyridin-6-yl)phenoxy]propan-2-ol;1-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-[3-(3-methylbenzimidazol-5-yl)phenoxy]-3-[1-(phenoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol is CCC1c2ccccc2CCN1CC(O)COc1cccc(-c2ccc3ncn(C)c3c2)c1.COc1ccc2c(c1)CN(CC(O)COc1cccc(-c3ccc4ncn(C)c4c3)c1)CC2.Cn1ccc2ccc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)nc21.Cn1cnc2ccc(-c3cccc(OCC(O)CN4CCc5ccccc5C4COc4ccccc4)c3)cc21.Cn1cnc2ccc(-c3cccc(OC[C@@H](O)CN4CCc5ccccc5C4)c3)cc21.Cn1cnc2ccc(-c3cccc(OC[C@H](O)CN4CCc5ccccc5C4)c3)cc21.

What is the InChIKey of (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;(2S)-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-methylpyrrolo[2,3-b]pyridin-6-yl)phenoxy]propan-2-ol;1-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-[3-(3-methylbenzimidazol-5-yl)phenoxy]-3-[1-(phenoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol?

The InChIKey is FSBOOQAYZRXMJN-KUOJEKLNSA-N. The full InChI is InChI=1S/C33H33N3O3.C28H31N3O2.C27H29N3O3.3C26H27N3O2/c1-35-23-34-31-15-14-26(19-32(31)35)25-9-7-12-29(18-25)38-21-27(37)20-36-17-16-24-8-5-6-13-30(24)33(36)22-39-28-10-3-2-4-11-28;1-3-27-25-10-5-4-7-20(25)13-14-31(27)17-23(32)18-33-24-9-6-8-21(15-24)22-11-12-26-28(16-22)30(2)19-29-26;1-29-18-28-26-9-7-21(14-27(26)29)20-4-3-5-25(12-20)33-17-23(31)16-30-11-10-19-6-8-24(32-2)13-22(19)15-30;1-28-13-11-20-9-10-25(27-26(20)28)21-7-4-8-24(15-21)31-18-23(30)17-29-14-12-19-5-2-3-6-22(19)16-29;2*1-28-18-27-25-10-9-21(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/h2-15,18-19,23,27,33,37H,16-17,20-22H2,1H3;4-12,15-16,19,23,27,32H,3,13-14,17-18H2,1-2H3;3-9,12-14,18,23,31H,10-11,15-17H2,1-2H3;2-11,13,15,23,30H,12,14,16-18H2,1H3;2*2-10,13-14,18,23,30H,11-12,15-17H2,1H3/t;;;;2*23-/m....10/s1.

What are the key properties of (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;(2S)-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-methylpyrrolo[2,3-b]pyridin-6-yl)phenoxy]propan-2-ol;1-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-[3-(3-methylbenzimidazol-5-yl)phenoxy]-3-[1-(phenoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol?

(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;(2S)-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-methylpyrrolo[2,3-b]pyridin-6-yl)phenoxy]propan-2-ol;1-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-[3-(3-methylbenzimidazol-5-yl)phenoxy]-3-[1-(phenoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol has a molecular weight of 2645.33 g/mol, XLogP of 26.81, 41 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;(2S)-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-methylpyrrolo[2,3-b]pyridin-6-yl)phenoxy]propan-2-ol;1-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-[3-(3-methylbenzimidazol-5-yl)phenoxy]-3-[1-(phenoxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol is sourced from PubChem (CID 158125129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).