1-(3,3-difluoro-4-propan-2-yl-2H-1-benzofuran-7-yl)-4-methylimidazole;1-(1,1-dimethyl-4-propan-2-yl-2,3-dihydro-1-benzosilol-7-yl)-4-methylimidazole;4-(methoxymethyl)-1-(2-methoxy-4-propan-2-ylphenyl)imidazole;1-(2-methoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzothiazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;4-methyl-1-(4-propan-2-yl-2-propoxyphenyl)imidazole

C104H129F2N17O6SSi — CID 157485494

About 1-(3,3-difluoro-4-propan-2-yl-2H-1-benzofuran-7-yl)-4-methylimidazole;1-(1,1-dimethyl-4-propan-2-yl-2,3-dihydro-1-benzosilol-7-yl)-4-methylimidazole;4-(methoxymethyl)-1-(2-methoxy-4-propan-2-ylphenyl)imidazole;1-(2-methoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzothiazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;4-methyl-1-(4-propan-2-yl-2-propoxyphenyl)imidazole

1-(3,3-difluoro-4-propan-2-yl-2H-1-benzofuran-7-yl)-4-methylimidazole;1-(1,1-dimethyl-4-propan-2-yl-2,3-dihydro-1-benzosilol-7-yl)-4-methylimidazole;4-(methoxymethyl)-1-(2-methoxy-4-propan-2-ylphenyl)imidazole;1-(2-methoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzothiazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;4-methyl-1-(4-propan-2-yl-2-propoxyphenyl)imidazole (PubChem CID 157485494) has the molecular formula C104H129F2N17O6SSi and a molecular weight of 1811.44 g/mol. Its IUPAC name is 1-(3,3-difluoro-4-propan-2-yl-2H-1-benzofuran-7-yl)-4-methylimidazole;1-(1,1-dimethyl-4-propan-2-yl-2,3-dihydro-1-benzosilol-7-yl)-4-methylimidazole;4-(methoxymethyl)-1-(2-methoxy-4-propan-2-ylphenyl)imidazole;1-(2-methoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzothiazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;4-methyl-1-(4-propan-2-yl-2-propoxyphenyl)imidazole.

Molecular Properties

• Compound Name: 1-(3,3-difluoro-4-propan-2-yl-2H-1-benzofuran-7-yl)-4-methylimidazole;1-(1,1-dimethyl-4-propan-2-yl-2,3-dihydro-1-benzosilol-7-yl)-4-methylimidazole;4-(methoxymethyl)-1-(2-methoxy-4-propan-2-ylphenyl)imidazole;1-(2-methoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzothiazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;4-methyl-1-(4-propan-2-yl-2-propoxyphenyl)imidazole
• PubChem CID: 157485494
• Molecular Formula: C104H129F2N17O6SSi
• Molecular Weight: 1811.44 g/mol
• Exact Mass: 1809.98
• IUPAC Name: 1-(3,3-difluoro-4-propan-2-yl-2H-1-benzofuran-7-yl)-4-methylimidazole;1-(1,1-dimethyl-4-propan-2-yl-2,3-dihydro-1-benzosilol-7-yl)-4-methylimidazole;4-(methoxymethyl)-1-(2-methoxy-4-propan-2-ylphenyl)imidazole;1-(2-methoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzothiazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;4-methyl-1-(4-propan-2-yl-2-propoxyphenyl)imidazole
• SMILES: CCCOc1cc(C(C)C)ccc1-n1cnc(C)c1.COCc1cn(-c2ccc(C(C)C)cc2OC)cn1.COc1cc(C(C)C)ccc1-n1cnc(C)n1.Cc1cn(-c2ccc(C(C)C)c3c2OCC3(F)F)cn1.Cc1cn(-c2ccc(C(C)C)c3c2[Si](C)(C)CC3)cn1.Cc1cn(-c2ccc(C(C)C)c3cnoc23)cn1.Cc1cn(-c2ccc(C(C)C)c3cnsc23)cn1
• InChI: InChI=1S/C17H24N2Si.C16H22N2O.C15H16F2N2O.C15H20N2O2.C14H15N3O.C14H15N3S.C13H17N3O/c1-12(2)14-6-7-16(19-10-13(3)18-11-19)17-15(14)8-9-20(17,4)5;1-5-8-19-16-9-14(12(2)3)6-7-15(16)18-10-13(4)17-11-18;1-9(2)11-4-5-12(19-6-10(3)18-8-19)14-13(11)15(16,17)7-20-14;1-11(2)12-5-6-14(15(7-12)19-4)17-8-13(9-18-3)16-10-17;2*1-9(2)11-4-5-13(14-12(11)6-16-18-14)17-7-10(3)15-8-17;1-9(2)11-5-6-12(13(7-11)17-4)16-8-14-10(3)15-16/h6-7,10-12H,8-9H2,1-5H3;6-7,9-12H,5,8H2,1-4H3;4-6,8-9H,7H2,1-3H3;5-8,10-11H,9H2,1-4H3;2*4-9H,1-3H3;5-9H,1-4H3
• InChIKey: BWQYHNBGBINYQI-UHFFFAOYSA-N
• XLogP: 24.87
• TPSA: 222.70 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 21
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1811.44
LogP ≤ 5	24.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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-(1,1-dimethyl-4-propan-2-yl-2,3-dihydro-1-benzosilol-7-yl)-4-methylimidazole;4-(methoxymethyl)-1-(2-methoxy-4-propan-2-ylphenyl)imidazole;1-(2-methoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzothiazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;4-methyl-1-(4-propan-2-yl-2-propoxyphenyl)imidazole?

The IUPAC name of 1-(3,3-difluoro-4-propan-2-yl-2H-1-benzofuran-7-yl)-4-methylimidazole;1-(1,1-dimethyl-4-propan-2-yl-2,3-dihydro-1-benzosilol-7-yl)-4-methylimidazole;4-(methoxymethyl)-1-(2-methoxy-4-propan-2-ylphenyl)imidazole;1-(2-methoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzothiazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;4-methyl-1-(4-propan-2-yl-2-propoxyphenyl)imidazole (CID 157485494) is 1-(3,3-difluoro-4-propan-2-yl-2H-1-benzofuran-7-yl)-4-methylimidazole;1-(1,1-dimethyl-4-propan-2-yl-2,3-dihydro-1-benzosilol-7-yl)-4-methylimidazole;4-(methoxymethyl)-1-(2-methoxy-4-propan-2-ylphenyl)imidazole;1-(2-methoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzothiazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;4-methyl-1-(4-propan-2-yl-2-propoxyphenyl)imidazole.

What is the SMILES notation for 1-(3,3-difluoro-4-propan-2-yl-2H-1-benzofuran-7-yl)-4-methylimidazole;1-(1,1-dimethyl-4-propan-2-yl-2,3-dihydro-1-benzosilol-7-yl)-4-methylimidazole;4-(methoxymethyl)-1-(2-methoxy-4-propan-2-ylphenyl)imidazole;1-(2-methoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzothiazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;4-methyl-1-(4-propan-2-yl-2-propoxyphenyl)imidazole?

The canonical SMILES for 1-(3,3-difluoro-4-propan-2-yl-2H-1-benzofuran-7-yl)-4-methylimidazole;1-(1,1-dimethyl-4-propan-2-yl-2,3-dihydro-1-benzosilol-7-yl)-4-methylimidazole;4-(methoxymethyl)-1-(2-methoxy-4-propan-2-ylphenyl)imidazole;1-(2-methoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzothiazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;4-methyl-1-(4-propan-2-yl-2-propoxyphenyl)imidazole is CCCOc1cc(C(C)C)ccc1-n1cnc(C)c1.COCc1cn(-c2ccc(C(C)C)cc2OC)cn1.COc1cc(C(C)C)ccc1-n1cnc(C)n1.Cc1cn(-c2ccc(C(C)C)c3c2OCC3(F)F)cn1.Cc1cn(-c2ccc(C(C)C)c3c2[Si](C)(C)CC3)cn1.Cc1cn(-c2ccc(C(C)C)c3cnoc23)cn1.Cc1cn(-c2ccc(C(C)C)c3cnsc23)cn1.

What is the InChIKey of 1-(3,3-difluoro-4-propan-2-yl-2H-1-benzofuran-7-yl)-4-methylimidazole;1-(1,1-dimethyl-4-propan-2-yl-2,3-dihydro-1-benzosilol-7-yl)-4-methylimidazole;4-(methoxymethyl)-1-(2-methoxy-4-propan-2-ylphenyl)imidazole;1-(2-methoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzothiazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;4-methyl-1-(4-propan-2-yl-2-propoxyphenyl)imidazole?

The InChIKey is BWQYHNBGBINYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2Si.C16H22N2O.C15H16F2N2O.C15H20N2O2.C14H15N3O.C14H15N3S.C13H17N3O/c1-12(2)14-6-7-16(19-10-13(3)18-11-19)17-15(14)8-9-20(17,4)5;1-5-8-19-16-9-14(12(2)3)6-7-15(16)18-10-13(4)17-11-18;1-9(2)11-4-5-12(19-6-10(3)18-8-19)14-13(11)15(16,17)7-20-14;1-11(2)12-5-6-14(15(7-12)19-4)17-8-13(9-18-3)16-10-17;2*1-9(2)11-4-5-13(14-12(11)6-16-18-14)17-7-10(3)15-8-17;1-9(2)11-5-6-12(13(7-11)17-4)16-8-14-10(3)15-16/h6-7,10-12H,8-9H2,1-5H3;6-7,9-12H,5,8H2,1-4H3;4-6,8-9H,7H2,1-3H3;5-8,10-11H,9H2,1-4H3;2*4-9H,1-3H3;5-9H,1-4H3.

What are the key properties of 1-(3,3-difluoro-4-propan-2-yl-2H-1-benzofuran-7-yl)-4-methylimidazole;1-(1,1-dimethyl-4-propan-2-yl-2,3-dihydro-1-benzosilol-7-yl)-4-methylimidazole;4-(methoxymethyl)-1-(2-methoxy-4-propan-2-ylphenyl)imidazole;1-(2-methoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzothiazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;4-methyl-1-(4-propan-2-yl-2-propoxyphenyl)imidazole?

1-(3,3-difluoro-4-propan-2-yl-2H-1-benzofuran-7-yl)-4-methylimidazole;1-(1,1-dimethyl-4-propan-2-yl-2,3-dihydro-1-benzosilol-7-yl)-4-methylimidazole;4-(methoxymethyl)-1-(2-methoxy-4-propan-2-ylphenyl)imidazole;1-(2-methoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzothiazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;4-methyl-1-(4-propan-2-yl-2-propoxyphenyl)imidazole has a molecular weight of 1811.44 g/mol, XLogP of 24.87, 21 rotatable bonds, 0 hydrogen bond donors, and 24 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-(1,1-dimethyl-4-propan-2-yl-2,3-dihydro-1-benzosilol-7-yl)-4-methylimidazole;4-(methoxymethyl)-1-(2-methoxy-4-propan-2-ylphenyl)imidazole;1-(2-methoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-triazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzothiazole;7-(4-methylimidazol-1-yl)-4-propan-2-yl-1,2-benzoxazole;4-methyl-1-(4-propan-2-yl-2-propoxyphenyl)imidazole is sourced from PubChem (CID 157485494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).