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;8-tert-butyl-5-(2-tert-butyl-1H-imidazol-5-yl)isoquinoline;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;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2,2-dimethylpropane

C152H205N19O6S — CID 161328489

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;8-tert-butyl-5-(2-tert-butyl-1H-imidazol-5-yl)isoquinoline;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;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2,2-dimethylpropane

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;8-tert-butyl-5-(2-tert-butyl-1H-imidazol-5-yl)isoquinoline;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;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2,2-dimethylpropane (PubChem CID 161328489) has the molecular formula C152H205N19O6S and a molecular weight of 2426.51 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;8-tert-butyl-5-(2-tert-butyl-1H-imidazol-5-yl)isoquinoline;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;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2,2-dimethylpropane.

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;8-tert-butyl-5-(2-tert-butyl-1H-imidazol-5-yl)isoquinoline;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;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2,2-dimethylpropane
• PubChem CID: 161328489
• Molecular Formula: C152H205N19O6S
• Molecular Weight: 2426.51 g/mol
• Exact Mass: 2424.60
• 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;8-tert-butyl-5-(2-tert-butyl-1H-imidazol-5-yl)isoquinoline;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;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2,2-dimethylpropane
• SMILES: CC(C)(C)C.CC(C)(C)C1=NS(=O)(=O)c2ccccc2N1.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)c3cnccc23)[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
• InChI: InChI=1S/C21H30N2.C21H26N2.C20H25N3.C20H28N2.2C18H23N3O.C18H24N2O2.C11H14N2O2S.C5H12/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)16-8-7-14(13-9-10-21-11-15(13)16)17-12-22-18(23-17)20(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(2,3)10-12-8-6-4-5-7-9(8)16(14,15)13-10;1-5(2,3)4/h11-13H,7-10H2,1-6H3,(H,22,23);7-13H,1-6H3,(H,22,23);7-12H,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);4-7H,1-3H3,(H,12,13);1-4H3
• InChIKey: VLCDECDRQFQAFI-UHFFFAOYSA-N
• XLogP: 40.08
• TPSA: 342.70 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 17
• Rotatable Bonds: 7
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2426.51
LogP ≤ 5	40.08
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	17

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;8-tert-butyl-5-(2-tert-butyl-1H-imidazol-5-yl)isoquinoline;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;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2,2-dimethylpropane?

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;8-tert-butyl-5-(2-tert-butyl-1H-imidazol-5-yl)isoquinoline;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;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2,2-dimethylpropane (CID 161328489) 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;8-tert-butyl-5-(2-tert-butyl-1H-imidazol-5-yl)isoquinoline;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;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2,2-dimethylpropane.

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;8-tert-butyl-5-(2-tert-butyl-1H-imidazol-5-yl)isoquinoline;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;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2,2-dimethylpropane?

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;8-tert-butyl-5-(2-tert-butyl-1H-imidazol-5-yl)isoquinoline;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;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2,2-dimethylpropane is CC(C)(C)C.CC(C)(C)C1=NS(=O)(=O)c2ccccc2N1.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)c3cnccc23)[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.

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;8-tert-butyl-5-(2-tert-butyl-1H-imidazol-5-yl)isoquinoline;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;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2,2-dimethylpropane?

The InChIKey is VLCDECDRQFQAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2.C21H26N2.C20H25N3.C20H28N2.2C18H23N3O.C18H24N2O2.C11H14N2O2S.C5H12/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)16-8-7-14(13-9-10-21-11-15(13)16)17-12-22-18(23-17)20(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(2,3)10-12-8-6-4-5-7-9(8)16(14,15)13-10;1-5(2,3)4/h11-13H,7-10H2,1-6H3,(H,22,23);7-13H,1-6H3,(H,22,23);7-12H,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);4-7H,1-3H3,(H,12,13);1-4H3.

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;8-tert-butyl-5-(2-tert-butyl-1H-imidazol-5-yl)isoquinoline;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;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2,2-dimethylpropane?

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;8-tert-butyl-5-(2-tert-butyl-1H-imidazol-5-yl)isoquinoline;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;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2,2-dimethylpropane has a molecular weight of 2426.51 g/mol, XLogP of 40.08, 7 rotatable bonds, 8 hydrogen bond donors, and 17 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;8-tert-butyl-5-(2-tert-butyl-1H-imidazol-5-yl)isoquinoline;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;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2,2-dimethylpropane is sourced from PubChem (CID 161328489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).