2-tert-butyl-5-(7-tert-butyl-1,3-benzodioxol-4-yl)-1H-imidazole;2-tert-butyl-5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;4-tert-butyl-7-(2-tert-butyl-1H-imidazol-5-yl)-1,2-benzoxazole;7-tert-butyl-4-(2-tert-butyl-1H-imidazol-5-yl)-1,3-benzoxazole;2-tert-butyl-5-(4-tert-butylnaphthalen-1-yl)-1H-imidazole;2-tert-butyl-5-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-1H-imidazole;8-tert-butyl-5-(2-methyl-1H-imidazol-5-yl)isoquinoline

C133H173N17O4 — CID 161027812

About 2-tert-butyl-5-(7-tert-butyl-1,3-benzodioxol-4-yl)-1H-imidazole;2-tert-butyl-5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;4-tert-butyl-7-(2-tert-butyl-1H-imidazol-5-yl)-1,2-benzoxazole;7-tert-butyl-4-(2-tert-butyl-1H-imidazol-5-yl)-1,3-benzoxazole;2-tert-butyl-5-(4-tert-butylnaphthalen-1-yl)-1H-imidazole;2-tert-butyl-5-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-1H-imidazole;8-tert-butyl-5-(2-methyl-1H-imidazol-5-yl)isoquinoline

2-tert-butyl-5-(7-tert-butyl-1,3-benzodioxol-4-yl)-1H-imidazole;2-tert-butyl-5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;4-tert-butyl-7-(2-tert-butyl-1H-imidazol-5-yl)-1,2-benzoxazole;7-tert-butyl-4-(2-tert-butyl-1H-imidazol-5-yl)-1,3-benzoxazole;2-tert-butyl-5-(4-tert-butylnaphthalen-1-yl)-1H-imidazole;2-tert-butyl-5-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-1H-imidazole;8-tert-butyl-5-(2-methyl-1H-imidazol-5-yl)isoquinoline (PubChem CID 161027812) has the molecular formula C133H173N17O4 and a molecular weight of 2073.96 g/mol. Its IUPAC name is 2-tert-butyl-5-(7-tert-butyl-1,3-benzodioxol-4-yl)-1H-imidazole;2-tert-butyl-5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;4-tert-butyl-7-(2-tert-butyl-1H-imidazol-5-yl)-1,2-benzoxazole;7-tert-butyl-4-(2-tert-butyl-1H-imidazol-5-yl)-1,3-benzoxazole;2-tert-butyl-5-(4-tert-butylnaphthalen-1-yl)-1H-imidazole;2-tert-butyl-5-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-1H-imidazole;8-tert-butyl-5-(2-methyl-1H-imidazol-5-yl)isoquinoline.

Molecular Properties

• Compound Name: 2-tert-butyl-5-(7-tert-butyl-1,3-benzodioxol-4-yl)-1H-imidazole;2-tert-butyl-5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;4-tert-butyl-7-(2-tert-butyl-1H-imidazol-5-yl)-1,2-benzoxazole;7-tert-butyl-4-(2-tert-butyl-1H-imidazol-5-yl)-1,3-benzoxazole;2-tert-butyl-5-(4-tert-butylnaphthalen-1-yl)-1H-imidazole;2-tert-butyl-5-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-1H-imidazole;8-tert-butyl-5-(2-methyl-1H-imidazol-5-yl)isoquinoline
• PubChem CID: 161027812
• Molecular Formula: C133H173N17O4
• Molecular Weight: 2073.96 g/mol
• Exact Mass: 2072.39
• IUPAC Name: 2-tert-butyl-5-(7-tert-butyl-1,3-benzodioxol-4-yl)-1H-imidazole;2-tert-butyl-5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;4-tert-butyl-7-(2-tert-butyl-1H-imidazol-5-yl)-1,2-benzoxazole;7-tert-butyl-4-(2-tert-butyl-1H-imidazol-5-yl)-1,3-benzoxazole;2-tert-butyl-5-(4-tert-butylnaphthalen-1-yl)-1H-imidazole;2-tert-butyl-5-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-1H-imidazole;8-tert-butyl-5-(2-methyl-1H-imidazol-5-yl)isoquinoline
• SMILES: CC(C)(C)c1ncc(-c2ccc(C(C)(C)C)c3c2CCC3)[nH]1.CC(C)(C)c1ncc(-c2ccc(C(C)(C)C)c3c2CCCC3)[nH]1.CC(C)(C)c1ncc(-c2ccc(C(C)(C)C)c3c2OCO3)[nH]1.CC(C)(C)c1ncc(-c2ccc(C(C)(C)C)c3ccccc23)[nH]1.CC(C)(C)c1ncc(-c2ccc(C(C)(C)C)c3cnoc23)[nH]1.CC(C)(C)c1ncc(-c2ccc(C(C)(C)C)c3ocnc23)[nH]1.Cc1ncc(-c2ccc(C(C)(C)C)c3cnccc23)[nH]1
• InChI: InChI=1S/C21H30N2.C21H26N2.C20H28N2.2C18H23N3O.C18H24N2O2.C17H19N3/c2*1-20(2,3)17-12-11-16(14-9-7-8-10-15(14)17)18-13-22-19(23-18)21(4,5)6;1-19(2,3)16-11-10-15(13-8-7-9-14(13)16)17-12-21-18(22-17)20(4,5)6;1-17(2,3)13-8-7-11(15-12(13)9-20-22-15)14-10-19-16(21-14)18(4,5)6;1-17(2,3)12-8-7-11(14-15(12)22-10-20-14)13-9-19-16(21-13)18(4,5)6;1-17(2,3)12-8-7-11(14-15(12)22-10-21-14)13-9-19-16(20-13)18(4,5)6;1-11-19-10-16(20-11)13-5-6-15(17(2,3)4)14-9-18-8-7-12(13)14/h11-13H,7-10H2,1-6H3,(H,22,23);7-13H,1-6H3,(H,22,23);10-12H,7-9H2,1-6H3,(H,21,22);2*7-10H,1-6H3,(H,19,21);7-9H,10H2,1-6H3,(H,19,20);5-10H,1-4H3,(H,19,20)
• InChIKey: TZFKYHQFAPBGTC-UHFFFAOYSA-N
• XLogP: 34.79
• TPSA: 284.17 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2073.96
LogP ≤ 5	34.79
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(7-tert-butyl-1,3-benzodioxol-4-yl)-1H-imidazole;2-tert-butyl-5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;4-tert-butyl-7-(2-tert-butyl-1H-imidazol-5-yl)-1,2-benzoxazole;7-tert-butyl-4-(2-tert-butyl-1H-imidazol-5-yl)-1,3-benzoxazole;2-tert-butyl-5-(4-tert-butylnaphthalen-1-yl)-1H-imidazole;2-tert-butyl-5-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-1H-imidazole;8-tert-butyl-5-(2-methyl-1H-imidazol-5-yl)isoquinoline?

The IUPAC name of 2-tert-butyl-5-(7-tert-butyl-1,3-benzodioxol-4-yl)-1H-imidazole;2-tert-butyl-5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;4-tert-butyl-7-(2-tert-butyl-1H-imidazol-5-yl)-1,2-benzoxazole;7-tert-butyl-4-(2-tert-butyl-1H-imidazol-5-yl)-1,3-benzoxazole;2-tert-butyl-5-(4-tert-butylnaphthalen-1-yl)-1H-imidazole;2-tert-butyl-5-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-1H-imidazole;8-tert-butyl-5-(2-methyl-1H-imidazol-5-yl)isoquinoline (CID 161027812) is 2-tert-butyl-5-(7-tert-butyl-1,3-benzodioxol-4-yl)-1H-imidazole;2-tert-butyl-5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;4-tert-butyl-7-(2-tert-butyl-1H-imidazol-5-yl)-1,2-benzoxazole;7-tert-butyl-4-(2-tert-butyl-1H-imidazol-5-yl)-1,3-benzoxazole;2-tert-butyl-5-(4-tert-butylnaphthalen-1-yl)-1H-imidazole;2-tert-butyl-5-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-1H-imidazole;8-tert-butyl-5-(2-methyl-1H-imidazol-5-yl)isoquinoline.

What is the SMILES notation for 2-tert-butyl-5-(7-tert-butyl-1,3-benzodioxol-4-yl)-1H-imidazole;2-tert-butyl-5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;4-tert-butyl-7-(2-tert-butyl-1H-imidazol-5-yl)-1,2-benzoxazole;7-tert-butyl-4-(2-tert-butyl-1H-imidazol-5-yl)-1,3-benzoxazole;2-tert-butyl-5-(4-tert-butylnaphthalen-1-yl)-1H-imidazole;2-tert-butyl-5-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-1H-imidazole;8-tert-butyl-5-(2-methyl-1H-imidazol-5-yl)isoquinoline?

The canonical SMILES for 2-tert-butyl-5-(7-tert-butyl-1,3-benzodioxol-4-yl)-1H-imidazole;2-tert-butyl-5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;4-tert-butyl-7-(2-tert-butyl-1H-imidazol-5-yl)-1,2-benzoxazole;7-tert-butyl-4-(2-tert-butyl-1H-imidazol-5-yl)-1,3-benzoxazole;2-tert-butyl-5-(4-tert-butylnaphthalen-1-yl)-1H-imidazole;2-tert-butyl-5-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-1H-imidazole;8-tert-butyl-5-(2-methyl-1H-imidazol-5-yl)isoquinoline is CC(C)(C)c1ncc(-c2ccc(C(C)(C)C)c3c2CCC3)[nH]1.CC(C)(C)c1ncc(-c2ccc(C(C)(C)C)c3c2CCCC3)[nH]1.CC(C)(C)c1ncc(-c2ccc(C(C)(C)C)c3c2OCO3)[nH]1.CC(C)(C)c1ncc(-c2ccc(C(C)(C)C)c3ccccc23)[nH]1.CC(C)(C)c1ncc(-c2ccc(C(C)(C)C)c3cnoc23)[nH]1.CC(C)(C)c1ncc(-c2ccc(C(C)(C)C)c3ocnc23)[nH]1.Cc1ncc(-c2ccc(C(C)(C)C)c3cnccc23)[nH]1.

What is the InChIKey of 2-tert-butyl-5-(7-tert-butyl-1,3-benzodioxol-4-yl)-1H-imidazole;2-tert-butyl-5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;4-tert-butyl-7-(2-tert-butyl-1H-imidazol-5-yl)-1,2-benzoxazole;7-tert-butyl-4-(2-tert-butyl-1H-imidazol-5-yl)-1,3-benzoxazole;2-tert-butyl-5-(4-tert-butylnaphthalen-1-yl)-1H-imidazole;2-tert-butyl-5-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-1H-imidazole;8-tert-butyl-5-(2-methyl-1H-imidazol-5-yl)isoquinoline?

The InChIKey is TZFKYHQFAPBGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2.C21H26N2.C20H28N2.2C18H23N3O.C18H24N2O2.C17H19N3/c2*1-20(2,3)17-12-11-16(14-9-7-8-10-15(14)17)18-13-22-19(23-18)21(4,5)6;1-19(2,3)16-11-10-15(13-8-7-9-14(13)16)17-12-21-18(22-17)20(4,5)6;1-17(2,3)13-8-7-11(15-12(13)9-20-22-15)14-10-19-16(21-14)18(4,5)6;1-17(2,3)12-8-7-11(14-15(12)22-10-20-14)13-9-19-16(21-13)18(4,5)6;1-17(2,3)12-8-7-11(14-15(12)22-10-21-14)13-9-19-16(20-13)18(4,5)6;1-11-19-10-16(20-11)13-5-6-15(17(2,3)4)14-9-18-8-7-12(13)14/h11-13H,7-10H2,1-6H3,(H,22,23);7-13H,1-6H3,(H,22,23);10-12H,7-9H2,1-6H3,(H,21,22);2*7-10H,1-6H3,(H,19,21);7-9H,10H2,1-6H3,(H,19,20);5-10H,1-4H3,(H,19,20).

What are the key properties of 2-tert-butyl-5-(7-tert-butyl-1,3-benzodioxol-4-yl)-1H-imidazole;2-tert-butyl-5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;4-tert-butyl-7-(2-tert-butyl-1H-imidazol-5-yl)-1,2-benzoxazole;7-tert-butyl-4-(2-tert-butyl-1H-imidazol-5-yl)-1,3-benzoxazole;2-tert-butyl-5-(4-tert-butylnaphthalen-1-yl)-1H-imidazole;2-tert-butyl-5-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-1H-imidazole;8-tert-butyl-5-(2-methyl-1H-imidazol-5-yl)isoquinoline?

2-tert-butyl-5-(7-tert-butyl-1,3-benzodioxol-4-yl)-1H-imidazole;2-tert-butyl-5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;4-tert-butyl-7-(2-tert-butyl-1H-imidazol-5-yl)-1,2-benzoxazole;7-tert-butyl-4-(2-tert-butyl-1H-imidazol-5-yl)-1,3-benzoxazole;2-tert-butyl-5-(4-tert-butylnaphthalen-1-yl)-1H-imidazole;2-tert-butyl-5-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-1H-imidazole;8-tert-butyl-5-(2-methyl-1H-imidazol-5-yl)isoquinoline has a molecular weight of 2073.96 g/mol, XLogP of 34.79, 7 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-5-(7-tert-butyl-1,3-benzodioxol-4-yl)-1H-imidazole;2-tert-butyl-5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;4-tert-butyl-7-(2-tert-butyl-1H-imidazol-5-yl)-1,2-benzoxazole;7-tert-butyl-4-(2-tert-butyl-1H-imidazol-5-yl)-1,3-benzoxazole;2-tert-butyl-5-(4-tert-butylnaphthalen-1-yl)-1H-imidazole;2-tert-butyl-5-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-1H-imidazole;8-tert-butyl-5-(2-methyl-1H-imidazol-5-yl)isoquinoline is sourced from PubChem (CID 161027812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).