1-(3,3-difluoro-4-propan-2-yl-2H-1-benzofuran-7-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-4-ethylimidazole;3-methyl-7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;4-methyl-1-(3-methyl-4-propan-2-yl-1-benzothiophen-7-yl)imidazole;4-methyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole;4-methyl-1-(4-propan-2-yl-2,3-dihydro-1-benzofuran-7-yl)imidazole;1-(5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)ethanone

C104H125F2N15O5S — CID 161291091

About 1-(3,3-difluoro-4-propan-2-yl-2H-1-benzofuran-7-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-4-ethylimidazole;3-methyl-7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;4-methyl-1-(3-methyl-4-propan-2-yl-1-benzothiophen-7-yl)imidazole;4-methyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole;4-methyl-1-(4-propan-2-yl-2,3-dihydro-1-benzofuran-7-yl)imidazole;1-(5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)ethanone

1-(3,3-difluoro-4-propan-2-yl-2H-1-benzofuran-7-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-4-ethylimidazole;3-methyl-7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;4-methyl-1-(3-methyl-4-propan-2-yl-1-benzothiophen-7-yl)imidazole;4-methyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole;4-methyl-1-(4-propan-2-yl-2,3-dihydro-1-benzofuran-7-yl)imidazole;1-(5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)ethanone (PubChem CID 161291091) has the molecular formula C104H125F2N15O5S and a molecular weight of 1735.31 g/mol. Its IUPAC name is 1-(3,3-difluoro-4-propan-2-yl-2H-1-benzofuran-7-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-4-ethylimidazole;3-methyl-7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;4-methyl-1-(3-methyl-4-propan-2-yl-1-benzothiophen-7-yl)imidazole;4-methyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole;4-methyl-1-(4-propan-2-yl-2,3-dihydro-1-benzofuran-7-yl)imidazole;1-(5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)ethanone.

Molecular Properties

• Compound Name: 1-(3,3-difluoro-4-propan-2-yl-2H-1-benzofuran-7-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-4-ethylimidazole;3-methyl-7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;4-methyl-1-(3-methyl-4-propan-2-yl-1-benzothiophen-7-yl)imidazole;4-methyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole;4-methyl-1-(4-propan-2-yl-2,3-dihydro-1-benzofuran-7-yl)imidazole;1-(5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)ethanone
• PubChem CID: 161291091
• Molecular Formula: C104H125F2N15O5S
• Molecular Weight: 1735.31 g/mol
• Exact Mass: 1733.97
• IUPAC Name: 1-(3,3-difluoro-4-propan-2-yl-2H-1-benzofuran-7-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-4-ethylimidazole;3-methyl-7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;4-methyl-1-(3-methyl-4-propan-2-yl-1-benzothiophen-7-yl)imidazole;4-methyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole;4-methyl-1-(4-propan-2-yl-2,3-dihydro-1-benzofuran-7-yl)imidazole;1-(5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)ethanone
• SMILES: CC(=O)N1CCc2nc(C(C)C)ccc21.CCOc1cc(C(C)C)ccc1-n1cnc(CC)c1.Cc1cn(-c2ccc(C(C)C)c3c(C)csc23)cn1.Cc1cn(-c2ccc(C(C)C)c3c(C)noc23)cn1.Cc1cn(-c2ccc(C(C)C)c3c2CC3)cn1.Cc1cn(-c2ccc(C(C)C)c3c2OCC3(F)F)cn1.Cc1cn(-c2ccc(C(C)C)c3c2OCC3)cn1
• InChI: InChI=1S/C16H22N2O.C16H18N2S.C15H16F2N2O.C15H17N3O.C15H18N2O.C15H18N2.C12H16N2O/c1-5-14-10-18(11-17-14)15-8-7-13(12(3)4)9-16(15)19-6-2;1-10(2)13-5-6-14(18-7-12(4)17-9-18)16-15(13)11(3)8-19-16;1-9(2)11-4-5-12(19-6-10(3)18-8-19)14-13(11)15(16,17)7-20-14;1-9(2)12-5-6-13(18-7-10(3)16-8-18)15-14(12)11(4)17-19-15;1-10(2)12-4-5-14(15-13(12)6-7-18-15)17-8-11(3)16-9-17;1-10(2)12-6-7-15(14-5-4-13(12)14)17-8-11(3)16-9-17;1-8(2)10-4-5-12-11(13-10)6-7-14(12)9(3)15/h7-12H,5-6H2,1-4H3;5-10H,1-4H3;4-6,8-9H,7H2,1-3H3;5-9H,1-4H3;4-5,8-10H,6-7H2,1-3H3;6-10H,4-5H2,1-3H3;4-5,8H,6-7H2,1-3H3
• InChIKey: VGIVLCYUCGCYMW-UHFFFAOYSA-N
• XLogP: 25.08
• TPSA: 193.84 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1735.31
LogP ≤ 5	25.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoro-4-propan-2-yl-2H-1-benzofuran-7-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-4-ethylimidazole;3-methyl-7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;4-methyl-1-(3-methyl-4-propan-2-yl-1-benzothiophen-7-yl)imidazole;4-methyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole;4-methyl-1-(4-propan-2-yl-2,3-dihydro-1-benzofuran-7-yl)imidazole;1-(5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)ethanone?

The IUPAC name of 1-(3,3-difluoro-4-propan-2-yl-2H-1-benzofuran-7-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-4-ethylimidazole;3-methyl-7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;4-methyl-1-(3-methyl-4-propan-2-yl-1-benzothiophen-7-yl)imidazole;4-methyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole;4-methyl-1-(4-propan-2-yl-2,3-dihydro-1-benzofuran-7-yl)imidazole;1-(5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)ethanone (CID 161291091) is 1-(3,3-difluoro-4-propan-2-yl-2H-1-benzofuran-7-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-4-ethylimidazole;3-methyl-7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;4-methyl-1-(3-methyl-4-propan-2-yl-1-benzothiophen-7-yl)imidazole;4-methyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole;4-methyl-1-(4-propan-2-yl-2,3-dihydro-1-benzofuran-7-yl)imidazole;1-(5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)ethanone.

What is the SMILES notation for 1-(3,3-difluoro-4-propan-2-yl-2H-1-benzofuran-7-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-4-ethylimidazole;3-methyl-7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;4-methyl-1-(3-methyl-4-propan-2-yl-1-benzothiophen-7-yl)imidazole;4-methyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole;4-methyl-1-(4-propan-2-yl-2,3-dihydro-1-benzofuran-7-yl)imidazole;1-(5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)ethanone?

The canonical SMILES for 1-(3,3-difluoro-4-propan-2-yl-2H-1-benzofuran-7-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-4-ethylimidazole;3-methyl-7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;4-methyl-1-(3-methyl-4-propan-2-yl-1-benzothiophen-7-yl)imidazole;4-methyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole;4-methyl-1-(4-propan-2-yl-2,3-dihydro-1-benzofuran-7-yl)imidazole;1-(5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)ethanone is CC(=O)N1CCc2nc(C(C)C)ccc21.CCOc1cc(C(C)C)ccc1-n1cnc(CC)c1.Cc1cn(-c2ccc(C(C)C)c3c(C)csc23)cn1.Cc1cn(-c2ccc(C(C)C)c3c(C)noc23)cn1.Cc1cn(-c2ccc(C(C)C)c3c2CC3)cn1.Cc1cn(-c2ccc(C(C)C)c3c2OCC3(F)F)cn1.Cc1cn(-c2ccc(C(C)C)c3c2OCC3)cn1.

What is the InChIKey of 1-(3,3-difluoro-4-propan-2-yl-2H-1-benzofuran-7-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-4-ethylimidazole;3-methyl-7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;4-methyl-1-(3-methyl-4-propan-2-yl-1-benzothiophen-7-yl)imidazole;4-methyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole;4-methyl-1-(4-propan-2-yl-2,3-dihydro-1-benzofuran-7-yl)imidazole;1-(5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)ethanone?

The InChIKey is VGIVLCYUCGCYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O.C16H18N2S.C15H16F2N2O.C15H17N3O.C15H18N2O.C15H18N2.C12H16N2O/c1-5-14-10-18(11-17-14)15-8-7-13(12(3)4)9-16(15)19-6-2;1-10(2)13-5-6-14(18-7-12(4)17-9-18)16-15(13)11(3)8-19-16;1-9(2)11-4-5-12(19-6-10(3)18-8-19)14-13(11)15(16,17)7-20-14;1-9(2)12-5-6-13(18-7-10(3)16-8-18)15-14(12)11(4)17-19-15;1-10(2)12-4-5-14(15-13(12)6-7-18-15)17-8-11(3)16-9-17;1-10(2)12-6-7-15(14-5-4-13(12)14)17-8-11(3)16-9-17;1-8(2)10-4-5-12-11(13-10)6-7-14(12)9(3)15/h7-12H,5-6H2,1-4H3;5-10H,1-4H3;4-6,8-9H,7H2,1-3H3;5-9H,1-4H3;4-5,8-10H,6-7H2,1-3H3;6-10H,4-5H2,1-3H3;4-5,8H,6-7H2,1-3H3.

What are the key properties of 1-(3,3-difluoro-4-propan-2-yl-2H-1-benzofuran-7-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-4-ethylimidazole;3-methyl-7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;4-methyl-1-(3-methyl-4-propan-2-yl-1-benzothiophen-7-yl)imidazole;4-methyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole;4-methyl-1-(4-propan-2-yl-2,3-dihydro-1-benzofuran-7-yl)imidazole;1-(5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)ethanone?

1-(3,3-difluoro-4-propan-2-yl-2H-1-benzofuran-7-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-4-ethylimidazole;3-methyl-7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;4-methyl-1-(3-methyl-4-propan-2-yl-1-benzothiophen-7-yl)imidazole;4-methyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole;4-methyl-1-(4-propan-2-yl-2,3-dihydro-1-benzofuran-7-yl)imidazole;1-(5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)ethanone has a molecular weight of 1735.31 g/mol, XLogP of 25.08, 16 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,3-difluoro-4-propan-2-yl-2H-1-benzofuran-7-yl)-4-methylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-4-ethylimidazole;3-methyl-7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;4-methyl-1-(3-methyl-4-propan-2-yl-1-benzothiophen-7-yl)imidazole;4-methyl-1-(5-propan-2-yl-2-bicyclo[4.2.0]octa-1,3,5-trienyl)imidazole;4-methyl-1-(4-propan-2-yl-2,3-dihydro-1-benzofuran-7-yl)imidazole;1-(5-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)ethanone is sourced from PubChem (CID 161291091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).