1-(2-ethoxy-4-propan-2-ylphenyl)-4-ethylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-4-methylimidazole;3-ethyl-1-(4-propan-2-ylphenyl)-1,2,4-triazole;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

C105H130N16O4S — CID 158713556

About 1-(2-ethoxy-4-propan-2-ylphenyl)-4-ethylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-4-methylimidazole;3-ethyl-1-(4-propan-2-ylphenyl)-1,2,4-triazole;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-(2-ethoxy-4-propan-2-ylphenyl)-4-ethylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-4-methylimidazole;3-ethyl-1-(4-propan-2-ylphenyl)-1,2,4-triazole;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 (PubChem CID 158713556) has the molecular formula C105H130N16O4S and a molecular weight of 1712.37 g/mol. Its IUPAC name is 1-(2-ethoxy-4-propan-2-ylphenyl)-4-ethylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-4-methylimidazole;3-ethyl-1-(4-propan-2-ylphenyl)-1,2,4-triazole;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.

Molecular Properties

• Compound Name: 1-(2-ethoxy-4-propan-2-ylphenyl)-4-ethylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-4-methylimidazole;3-ethyl-1-(4-propan-2-ylphenyl)-1,2,4-triazole;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
• PubChem CID: 158713556
• Molecular Formula: C105H130N16O4S
• Molecular Weight: 1712.37 g/mol
• Exact Mass: 1711.02
• IUPAC Name: 1-(2-ethoxy-4-propan-2-ylphenyl)-4-ethylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-4-methylimidazole;3-ethyl-1-(4-propan-2-ylphenyl)-1,2,4-triazole;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
• SMILES: CCOc1cc(C(C)C)ccc1-n1cnc(C)c1.CCOc1cc(C(C)C)ccc1-n1cnc(CC)c1.CCc1ncn(-c2ccc(C(C)C)cc2)n1.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)cn1
• InChI: InChI=1S/C16H22N2O.C16H18N2S.C15H17N3O.C15H18N2O.C15H20N2O.C15H18N2.C13H17N3/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)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;1-5-18-15-8-13(11(2)3)6-7-14(15)17-9-12(4)16-10-17;1-10(2)12-6-7-15(14-5-4-13(12)14)17-8-11(3)16-9-17;1-4-13-14-9-16(15-13)12-7-5-11(6-8-12)10(2)3/h7-12H,5-6H2,1-4H3;5-10H,1-4H3;5-9H,1-4H3;4-5,8-10H,6-7H2,1-3H3;6-11H,5H2,1-4H3;6-10H,4-5H2,1-3H3;5-10H,4H2,1-3H3
• InChIKey: IJAISGRNCRQEPT-UHFFFAOYSA-N
• XLogP: 25.84
• TPSA: 191.35 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 20
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1712.37
LogP ≤ 5	25.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-4-propan-2-ylphenyl)-4-ethylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-4-methylimidazole;3-ethyl-1-(4-propan-2-ylphenyl)-1,2,4-triazole;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?

The IUPAC name of 1-(2-ethoxy-4-propan-2-ylphenyl)-4-ethylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-4-methylimidazole;3-ethyl-1-(4-propan-2-ylphenyl)-1,2,4-triazole;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 (CID 158713556) is 1-(2-ethoxy-4-propan-2-ylphenyl)-4-ethylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-4-methylimidazole;3-ethyl-1-(4-propan-2-ylphenyl)-1,2,4-triazole;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.

What is the SMILES notation for 1-(2-ethoxy-4-propan-2-ylphenyl)-4-ethylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-4-methylimidazole;3-ethyl-1-(4-propan-2-ylphenyl)-1,2,4-triazole;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?

The canonical SMILES for 1-(2-ethoxy-4-propan-2-ylphenyl)-4-ethylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-4-methylimidazole;3-ethyl-1-(4-propan-2-ylphenyl)-1,2,4-triazole;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 is CCOc1cc(C(C)C)ccc1-n1cnc(C)c1.CCOc1cc(C(C)C)ccc1-n1cnc(CC)c1.CCc1ncn(-c2ccc(C(C)C)cc2)n1.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)cn1.

What is the InChIKey of 1-(2-ethoxy-4-propan-2-ylphenyl)-4-ethylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-4-methylimidazole;3-ethyl-1-(4-propan-2-ylphenyl)-1,2,4-triazole;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?

The InChIKey is IJAISGRNCRQEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O.C16H18N2S.C15H17N3O.C15H18N2O.C15H20N2O.C15H18N2.C13H17N3/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)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;1-5-18-15-8-13(11(2)3)6-7-14(15)17-9-12(4)16-10-17;1-10(2)12-6-7-15(14-5-4-13(12)14)17-8-11(3)16-9-17;1-4-13-14-9-16(15-13)12-7-5-11(6-8-12)10(2)3/h7-12H,5-6H2,1-4H3;5-10H,1-4H3;5-9H,1-4H3;4-5,8-10H,6-7H2,1-3H3;6-11H,5H2,1-4H3;6-10H,4-5H2,1-3H3;5-10H,4H2,1-3H3.

What are the key properties of 1-(2-ethoxy-4-propan-2-ylphenyl)-4-ethylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-4-methylimidazole;3-ethyl-1-(4-propan-2-ylphenyl)-1,2,4-triazole;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-(2-ethoxy-4-propan-2-ylphenyl)-4-ethylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-4-methylimidazole;3-ethyl-1-(4-propan-2-ylphenyl)-1,2,4-triazole;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 has a molecular weight of 1712.37 g/mol, XLogP of 25.84, 20 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-ethoxy-4-propan-2-ylphenyl)-4-ethylimidazole;1-(2-ethoxy-4-propan-2-ylphenyl)-4-methylimidazole;3-ethyl-1-(4-propan-2-ylphenyl)-1,2,4-triazole;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 is sourced from PubChem (CID 158713556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).