1-[3-(3-benzylbenzimidazol-5-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)anilino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-(oxan-4-yl)benzimidazol-5-yl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-phenylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-3-ylphenoxy)propan-2-ol;1-(8-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-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol

C200H205N21O15 — CID 157055384

About 1-[3-(3-benzylbenzimidazol-5-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)anilino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-(oxan-4-yl)benzimidazol-5-yl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-phenylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-3-ylphenoxy)propan-2-ol;1-(8-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-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol

1-[3-(3-benzylbenzimidazol-5-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)anilino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-(oxan-4-yl)benzimidazol-5-yl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-phenylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-3-ylphenoxy)propan-2-ol;1-(8-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-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol (PubChem CID 157055384) has the molecular formula C200H205N21O15 and a molecular weight of 3142.97 g/mol. Its IUPAC name is 1-[3-(3-benzylbenzimidazol-5-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)anilino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-(oxan-4-yl)benzimidazol-5-yl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-phenylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-3-ylphenoxy)propan-2-ol;1-(8-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-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol.

Molecular Properties

• Compound Name: 1-[3-(3-benzylbenzimidazol-5-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)anilino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-(oxan-4-yl)benzimidazol-5-yl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-phenylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-3-ylphenoxy)propan-2-ol;1-(8-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-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
• PubChem CID: 157055384
• Molecular Formula: C200H205N21O15
• Molecular Weight: 3142.97 g/mol
• Exact Mass: 3140.59
• IUPAC Name: 1-[3-(3-benzylbenzimidazol-5-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)anilino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-(oxan-4-yl)benzimidazol-5-yl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-phenylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-3-ylphenoxy)propan-2-ol;1-(8-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-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
• SMILES: CC1CN(CC(O)COc2cccc(-c3ccc4ncn(C)c4c3)c2)Cc2ccccc21.COc1cccc2c1CN(CC(O)COc1cccc(-c3ccc4ncn(C)c4c3)c1)CC2.Cn1cnc2ccc(-c3cccc(NCC(O)CN4CCc5ccccc5C4)c3)cc21.OC(COc1cccc(-c2ccc3ncn(-c4ccccc4)c3c2)c1)CN1CCc2ccccc2C1.OC(COc1cccc(-c2ccc3ncn(C4CCOCC4)c3c2)c1)CN1CCc2ccccc2C1.OC(COc1cccc(-c2ccc3ncn(Cc4ccccc4)c3c2)c1)CN1CCc2ccccc2C1.OC(COc1cccc(-c2cnc3ccccc3c2)c1)CN1CCc2ccccc2C1
• InChI: InChI=1S/C32H31N3O2.C31H29N3O2.C30H33N3O3.C27H29N3O3.C27H29N3O2.C27H26N2O2.C26H28N4O/c36-29(21-34-16-15-25-9-4-5-10-28(25)20-34)22-37-30-12-6-11-26(17-30)27-13-14-31-32(18-27)35(23-33-31)19-24-7-2-1-3-8-24;35-28(20-33-16-15-23-7-4-5-8-26(23)19-33)21-36-29-12-6-9-24(17-29)25-13-14-30-31(18-25)34(22-32-30)27-10-2-1-3-11-27;34-27(19-32-13-10-22-4-1-2-5-25(22)18-32)20-36-28-7-3-6-23(16-28)24-8-9-29-30(17-24)33(21-31-29)26-11-14-35-15-12-26;1-29-18-28-25-10-9-21(14-26(25)29)20-6-3-7-23(13-20)33-17-22(31)15-30-12-11-19-5-4-8-27(32-2)24(19)16-30;1-19-14-30(15-22-6-3-4-9-25(19)22)16-23(31)17-32-24-8-5-7-20(12-24)21-10-11-26-27(13-21)29(2)18-28-26;30-25(18-29-13-12-20-6-1-2-8-23(20)17-29)19-31-26-10-5-9-21(15-26)24-14-22-7-3-4-11-27(22)28-16-24;1-29-18-28-25-10-9-21(14-26(25)29)20-7-4-8-23(13-20)27-15-24(31)17-30-12-11-19-5-2-3-6-22(19)16-30/h1-14,17-18,23,29,36H,15-16,19-22H2;1-14,17-18,22,28,35H,15-16,19-21H2;1-9,16-17,21,26-27,34H,10-15,18-20H2;3-10,13-14,18,22,31H,11-12,15-17H2,1-2H3;3-13,18-19,23,31H,14-17H2,1-2H3;1-11,14-16,25,30H,12-13,17-19H2;2-10,13-14,18,24,27,31H,11-12,15-17H2,1H3
• InChIKey: AARSBIJHTMJUHQ-UHFFFAOYSA-N
• XLogP: 33.31
• TPSA: 369.97 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 36
• Rotatable Bonds: 47
• Heavy Atoms: 236
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3142.97
LogP ≤ 5	33.31
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-benzylbenzimidazol-5-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)anilino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-(oxan-4-yl)benzimidazol-5-yl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-phenylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-3-ylphenoxy)propan-2-ol;1-(8-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-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?

The IUPAC name of 1-[3-(3-benzylbenzimidazol-5-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)anilino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-(oxan-4-yl)benzimidazol-5-yl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-phenylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-3-ylphenoxy)propan-2-ol;1-(8-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-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol (CID 157055384) is 1-[3-(3-benzylbenzimidazol-5-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)anilino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-(oxan-4-yl)benzimidazol-5-yl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-phenylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-3-ylphenoxy)propan-2-ol;1-(8-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-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol.

What is the SMILES notation for 1-[3-(3-benzylbenzimidazol-5-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)anilino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-(oxan-4-yl)benzimidazol-5-yl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-phenylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-3-ylphenoxy)propan-2-ol;1-(8-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-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?

The canonical SMILES for 1-[3-(3-benzylbenzimidazol-5-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)anilino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-(oxan-4-yl)benzimidazol-5-yl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-phenylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-3-ylphenoxy)propan-2-ol;1-(8-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-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol is CC1CN(CC(O)COc2cccc(-c3ccc4ncn(C)c4c3)c2)Cc2ccccc21.COc1cccc2c1CN(CC(O)COc1cccc(-c3ccc4ncn(C)c4c3)c1)CC2.Cn1cnc2ccc(-c3cccc(NCC(O)CN4CCc5ccccc5C4)c3)cc21.OC(COc1cccc(-c2ccc3ncn(-c4ccccc4)c3c2)c1)CN1CCc2ccccc2C1.OC(COc1cccc(-c2ccc3ncn(C4CCOCC4)c3c2)c1)CN1CCc2ccccc2C1.OC(COc1cccc(-c2ccc3ncn(Cc4ccccc4)c3c2)c1)CN1CCc2ccccc2C1.OC(COc1cccc(-c2cnc3ccccc3c2)c1)CN1CCc2ccccc2C1.

What is the InChIKey of 1-[3-(3-benzylbenzimidazol-5-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)anilino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-(oxan-4-yl)benzimidazol-5-yl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-phenylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-3-ylphenoxy)propan-2-ol;1-(8-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-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?

The InChIKey is AARSBIJHTMJUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N3O2.C31H29N3O2.C30H33N3O3.C27H29N3O3.C27H29N3O2.C27H26N2O2.C26H28N4O/c36-29(21-34-16-15-25-9-4-5-10-28(25)20-34)22-37-30-12-6-11-26(17-30)27-13-14-31-32(18-27)35(23-33-31)19-24-7-2-1-3-8-24;35-28(20-33-16-15-23-7-4-5-8-26(23)19-33)21-36-29-12-6-9-24(17-29)25-13-14-30-31(18-25)34(22-32-30)27-10-2-1-3-11-27;34-27(19-32-13-10-22-4-1-2-5-25(22)18-32)20-36-28-7-3-6-23(16-28)24-8-9-29-30(17-24)33(21-31-29)26-11-14-35-15-12-26;1-29-18-28-25-10-9-21(14-26(25)29)20-6-3-7-23(13-20)33-17-22(31)15-30-12-11-19-5-4-8-27(32-2)24(19)16-30;1-19-14-30(15-22-6-3-4-9-25(19)22)16-23(31)17-32-24-8-5-7-20(12-24)21-10-11-26-27(13-21)29(2)18-28-26;30-25(18-29-13-12-20-6-1-2-8-23(20)17-29)19-31-26-10-5-9-21(15-26)24-14-22-7-3-4-11-27(22)28-16-24;1-29-18-28-25-10-9-21(14-26(25)29)20-7-4-8-23(13-20)27-15-24(31)17-30-12-11-19-5-2-3-6-22(19)16-30/h1-14,17-18,23,29,36H,15-16,19-22H2;1-14,17-18,22,28,35H,15-16,19-21H2;1-9,16-17,21,26-27,34H,10-15,18-20H2;3-10,13-14,18,22,31H,11-12,15-17H2,1-2H3;3-13,18-19,23,31H,14-17H2,1-2H3;1-11,14-16,25,30H,12-13,17-19H2;2-10,13-14,18,24,27,31H,11-12,15-17H2,1H3.

What are the key properties of 1-[3-(3-benzylbenzimidazol-5-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)anilino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-(oxan-4-yl)benzimidazol-5-yl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-phenylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-3-ylphenoxy)propan-2-ol;1-(8-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-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol?

1-[3-(3-benzylbenzimidazol-5-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)anilino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-(oxan-4-yl)benzimidazol-5-yl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-phenylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-3-ylphenoxy)propan-2-ol;1-(8-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-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol has a molecular weight of 3142.97 g/mol, XLogP of 33.31, 47 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(3-benzylbenzimidazol-5-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)anilino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-(oxan-4-yl)benzimidazol-5-yl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-phenylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-3-ylphenoxy)propan-2-ol;1-(8-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-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol is sourced from PubChem (CID 157055384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).