bis(6-[4-[[3-(cyclohexen-1-yl)phenyl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole);bis(6-[4-[(3-cyclohexylphenyl)methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole);4-[6-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2-pyridinyl]-N,N-dimethylbenzamide;2-methoxy-6-[6-methoxy-4-[[3-(5-methyl-2-pyridinyl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole

C164H151N21O25S6 — CID 159277962

About bis(6-[4-[[3-(cyclohexen-1-yl)phenyl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole);bis(6-[4-[(3-cyclohexylphenyl)methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole);4-[6-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2-pyridinyl]-N,N-dimethylbenzamide;2-methoxy-6-[6-methoxy-4-[[3-(5-methyl-2-pyridinyl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole

bis(6-[4-[[3-(cyclohexen-1-yl)phenyl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole);bis(6-[4-[(3-cyclohexylphenyl)methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole);4-[6-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2-pyridinyl]-N,N-dimethylbenzamide;2-methoxy-6-[6-methoxy-4-[[3-(5-methyl-2-pyridinyl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 159277962) has the molecular formula C164H151N21O25S6 and a molecular weight of 3008.54 g/mol. Its IUPAC name is bis(6-[4-[[3-(cyclohexen-1-yl)phenyl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole);bis(6-[4-[(3-cyclohexylphenyl)methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole);4-[6-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2-pyridinyl]-N,N-dimethylbenzamide;2-methoxy-6-[6-methoxy-4-[[3-(5-methyl-2-pyridinyl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

• Compound Name: bis(6-[4-[[3-(cyclohexen-1-yl)phenyl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole);bis(6-[4-[(3-cyclohexylphenyl)methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole);4-[6-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2-pyridinyl]-N,N-dimethylbenzamide;2-methoxy-6-[6-methoxy-4-[[3-(5-methyl-2-pyridinyl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
• PubChem CID: 159277962
• Molecular Formula: C164H151N21O25S6
• Molecular Weight: 3008.54 g/mol
• Exact Mass: 3005.95
• IUPAC Name: bis(6-[4-[[3-(cyclohexen-1-yl)phenyl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole);bis(6-[4-[(3-cyclohexylphenyl)methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole);4-[6-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2-pyridinyl]-N,N-dimethylbenzamide;2-methoxy-6-[6-methoxy-4-[[3-(5-methyl-2-pyridinyl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
• SMILES: COc1cc(OCc2cccc(-c3ccc(C(=O)N(C)C)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2cccc(-c3ccc(C)cn3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2cccc(C3=CCCCC3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2cccc(C3=CCCCC3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2cccc(C3CCCCC3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2cccc(C3CCCCC3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1
• InChI: InChI=1S/C29H25N5O5S.C27H22N4O4S.2C27H27N3O4S.2C27H25N3O4S/c1-33(2)27(35)18-10-8-17(9-11-18)22-7-5-6-19(30-22)16-38-24-12-20(36-3)13-25-21(24)14-26(39-25)23-15-34-28(31-23)40-29(32-34)37-4;1-16-7-8-21(28-13-16)18-6-4-5-17(9-18)15-34-23-10-19(32-2)11-24-20(23)12-25(35-24)22-14-31-26(29-22)36-27(30-31)33-3;4*1-31-20-12-23(33-16-17-7-6-10-19(11-17)18-8-4-3-5-9-18)21-14-25(34-24(21)13-20)22-15-30-26(28-22)35-27(29-30)32-2/h5-15H,16H2,1-4H3;4-14H,15H2,1-3H3;2*6-7,10-15,18H,3-5,8-9,16H2,1-2H3;2*6-8,10-15H,3-5,9,16H2,1-2H3
• InChIKey: KYNYKAXFRWYSRI-UHFFFAOYSA-N
• XLogP: 38.95
• TPSA: 472.21 Ų
• H-Bond Acceptors: 51
• Rotatable Bonds: 43
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3008.54
LogP ≤ 5	38.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	51

Frequently Asked Questions

What is the IUPAC name of bis(6-[4-[[3-(cyclohexen-1-yl)phenyl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole);bis(6-[4-[(3-cyclohexylphenyl)methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole);4-[6-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2-pyridinyl]-N,N-dimethylbenzamide;2-methoxy-6-[6-methoxy-4-[[3-(5-methyl-2-pyridinyl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole?

The IUPAC name of bis(6-[4-[[3-(cyclohexen-1-yl)phenyl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole);bis(6-[4-[(3-cyclohexylphenyl)methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole);4-[6-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2-pyridinyl]-N,N-dimethylbenzamide;2-methoxy-6-[6-methoxy-4-[[3-(5-methyl-2-pyridinyl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole (CID 159277962) is bis(6-[4-[[3-(cyclohexen-1-yl)phenyl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole);bis(6-[4-[(3-cyclohexylphenyl)methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole);4-[6-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2-pyridinyl]-N,N-dimethylbenzamide;2-methoxy-6-[6-methoxy-4-[[3-(5-methyl-2-pyridinyl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole.

What is the SMILES notation for bis(6-[4-[[3-(cyclohexen-1-yl)phenyl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole);bis(6-[4-[(3-cyclohexylphenyl)methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole);4-[6-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2-pyridinyl]-N,N-dimethylbenzamide;2-methoxy-6-[6-methoxy-4-[[3-(5-methyl-2-pyridinyl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole?

The canonical SMILES for bis(6-[4-[[3-(cyclohexen-1-yl)phenyl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole);bis(6-[4-[(3-cyclohexylphenyl)methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole);4-[6-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2-pyridinyl]-N,N-dimethylbenzamide;2-methoxy-6-[6-methoxy-4-[[3-(5-methyl-2-pyridinyl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole is COc1cc(OCc2cccc(-c3ccc(C(=O)N(C)C)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2cccc(-c3ccc(C)cn3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2cccc(C3=CCCCC3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2cccc(C3=CCCCC3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2cccc(C3CCCCC3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.COc1cc(OCc2cccc(C3CCCCC3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1.

What is the InChIKey of bis(6-[4-[[3-(cyclohexen-1-yl)phenyl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole);bis(6-[4-[(3-cyclohexylphenyl)methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole);4-[6-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2-pyridinyl]-N,N-dimethylbenzamide;2-methoxy-6-[6-methoxy-4-[[3-(5-methyl-2-pyridinyl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole?

The InChIKey is KYNYKAXFRWYSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5O5S.C27H22N4O4S.2C27H27N3O4S.2C27H25N3O4S/c1-33(2)27(35)18-10-8-17(9-11-18)22-7-5-6-19(30-22)16-38-24-12-20(36-3)13-25-21(24)14-26(39-25)23-15-34-28(31-23)40-29(32-34)37-4;1-16-7-8-21(28-13-16)18-6-4-5-17(9-18)15-34-23-10-19(32-2)11-24-20(23)12-25(35-24)22-14-31-26(29-22)36-27(30-31)33-3;4*1-31-20-12-23(33-16-17-7-6-10-19(11-17)18-8-4-3-5-9-18)21-14-25(34-24(21)13-20)22-15-30-26(28-22)35-27(29-30)32-2/h5-15H,16H2,1-4H3;4-14H,15H2,1-3H3;2*6-7,10-15,18H,3-5,8-9,16H2,1-2H3;2*6-8,10-15H,3-5,9,16H2,1-2H3.

What are the key properties of bis(6-[4-[[3-(cyclohexen-1-yl)phenyl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole);bis(6-[4-[(3-cyclohexylphenyl)methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole);4-[6-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2-pyridinyl]-N,N-dimethylbenzamide;2-methoxy-6-[6-methoxy-4-[[3-(5-methyl-2-pyridinyl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole?

bis(6-[4-[[3-(cyclohexen-1-yl)phenyl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole);bis(6-[4-[(3-cyclohexylphenyl)methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole);4-[6-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2-pyridinyl]-N,N-dimethylbenzamide;2-methoxy-6-[6-methoxy-4-[[3-(5-methyl-2-pyridinyl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 3008.54 g/mol, XLogP of 38.95, 43 rotatable bonds, 0 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for bis(6-[4-[[3-(cyclohexen-1-yl)phenyl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole);bis(6-[4-[(3-cyclohexylphenyl)methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole);4-[6-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-2-pyridinyl]-N,N-dimethylbenzamide;2-methoxy-6-[6-methoxy-4-[[3-(5-methyl-2-pyridinyl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 159277962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).