2-tert-butyl-5-(7-tert-butyl-1,3-benzodioxol-4-yl)-1H-imidazole;4-tert-butyl-7-(2-tert-butyl-1H-imidazol-5-yl)-1,2-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-4,4-dimethyl-1H-quinazoline;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3H-quinazolin-4-one;2-tert-butyl-1H-quinolin-4-one;tetrakis(2,2-dimethylpropane)

C147H209N17O7S — CID 157474221

About 2-tert-butyl-5-(7-tert-butyl-1,3-benzodioxol-4-yl)-1H-imidazole;4-tert-butyl-7-(2-tert-butyl-1H-imidazol-5-yl)-1,2-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-4,4-dimethyl-1H-quinazoline;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3H-quinazolin-4-one;2-tert-butyl-1H-quinolin-4-one;tetrakis(2,2-dimethylpropane)

2-tert-butyl-5-(7-tert-butyl-1,3-benzodioxol-4-yl)-1H-imidazole;4-tert-butyl-7-(2-tert-butyl-1H-imidazol-5-yl)-1,2-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-4,4-dimethyl-1H-quinazoline;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3H-quinazolin-4-one;2-tert-butyl-1H-quinolin-4-one;tetrakis(2,2-dimethylpropane) (PubChem CID 157474221) has the molecular formula C147H209N17O7S and a molecular weight of 2358.47 g/mol. Its IUPAC name is 2-tert-butyl-5-(7-tert-butyl-1,3-benzodioxol-4-yl)-1H-imidazole;4-tert-butyl-7-(2-tert-butyl-1H-imidazol-5-yl)-1,2-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-4,4-dimethyl-1H-quinazoline;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3H-quinazolin-4-one;2-tert-butyl-1H-quinolin-4-one;tetrakis(2,2-dimethylpropane).

Molecular Properties

• Compound Name: 2-tert-butyl-5-(7-tert-butyl-1,3-benzodioxol-4-yl)-1H-imidazole;4-tert-butyl-7-(2-tert-butyl-1H-imidazol-5-yl)-1,2-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-4,4-dimethyl-1H-quinazoline;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3H-quinazolin-4-one;2-tert-butyl-1H-quinolin-4-one;tetrakis(2,2-dimethylpropane)
• PubChem CID: 157474221
• Molecular Formula: C147H209N17O7S
• Molecular Weight: 2358.47 g/mol
• Exact Mass: 2356.62
• IUPAC Name: 2-tert-butyl-5-(7-tert-butyl-1,3-benzodioxol-4-yl)-1H-imidazole;4-tert-butyl-7-(2-tert-butyl-1H-imidazol-5-yl)-1,2-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-4,4-dimethyl-1H-quinazoline;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3H-quinazolin-4-one;2-tert-butyl-1H-quinolin-4-one;tetrakis(2,2-dimethylpropane)
• SMILES: CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C1=NC(C)(C)c2ccccc2N1.CC(C)(C)C1=NS(=O)(=O)c2ccccc2N1.CC(C)(C)c1cc(=O)c2ccccc2[nH]1.CC(C)(C)c1nc2ccccc2c(=O)[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
• InChI: InChI=1S/C21H26N2.C20H25N3.C18H23N3O.C18H24N2O2.C14H20N2.C13H15NO.C12H14N2O.C11H14N2O2S.4C5H12/c1-20(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;1-17(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)22-10-21-14)13-9-19-16(20-13)18(4,5)6;1-13(2,3)12-15-11-9-7-6-8-10(11)14(4,5)16-12;1-13(2,3)12-8-11(15)9-6-4-5-7-10(9)14-12;1-12(2,3)11-13-9-7-5-4-6-8(9)10(15)14-11;1-11(2,3)10-12-8-6-4-5-7-9(8)16(14,15)13-10;4*1-5(2,3)4/h7-13H,1-6H3,(H,22,23);7-12H,1-6H3,(H,22,23);7-10H,1-6H3,(H,19,21);7-9H,10H2,1-6H3,(H,19,20);6-9H,1-5H3,(H,15,16);4-8H,1-3H3,(H,14,15);4-7H,1-3H3,(H,13,14,15);4-7H,1-3H3,(H,12,13);4*1-4H3
• InChIKey: BVJYSKCBWALAMP-UHFFFAOYSA-N
• XLogP: 39.55
• TPSA: 333.63 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 17
• Rotatable Bonds: 4
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2358.47
LogP ≤ 5	39.55
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;4-tert-butyl-7-(2-tert-butyl-1H-imidazol-5-yl)-1,2-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-4,4-dimethyl-1H-quinazoline;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3H-quinazolin-4-one;2-tert-butyl-1H-quinolin-4-one;tetrakis(2,2-dimethylpropane)?

The IUPAC name of 2-tert-butyl-5-(7-tert-butyl-1,3-benzodioxol-4-yl)-1H-imidazole;4-tert-butyl-7-(2-tert-butyl-1H-imidazol-5-yl)-1,2-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-4,4-dimethyl-1H-quinazoline;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3H-quinazolin-4-one;2-tert-butyl-1H-quinolin-4-one;tetrakis(2,2-dimethylpropane) (CID 157474221) is 2-tert-butyl-5-(7-tert-butyl-1,3-benzodioxol-4-yl)-1H-imidazole;4-tert-butyl-7-(2-tert-butyl-1H-imidazol-5-yl)-1,2-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-4,4-dimethyl-1H-quinazoline;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3H-quinazolin-4-one;2-tert-butyl-1H-quinolin-4-one;tetrakis(2,2-dimethylpropane).

What is the SMILES notation for 2-tert-butyl-5-(7-tert-butyl-1,3-benzodioxol-4-yl)-1H-imidazole;4-tert-butyl-7-(2-tert-butyl-1H-imidazol-5-yl)-1,2-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-4,4-dimethyl-1H-quinazoline;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3H-quinazolin-4-one;2-tert-butyl-1H-quinolin-4-one;tetrakis(2,2-dimethylpropane)?

The canonical SMILES for 2-tert-butyl-5-(7-tert-butyl-1,3-benzodioxol-4-yl)-1H-imidazole;4-tert-butyl-7-(2-tert-butyl-1H-imidazol-5-yl)-1,2-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-4,4-dimethyl-1H-quinazoline;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3H-quinazolin-4-one;2-tert-butyl-1H-quinolin-4-one;tetrakis(2,2-dimethylpropane) is CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C1=NC(C)(C)c2ccccc2N1.CC(C)(C)C1=NS(=O)(=O)c2ccccc2N1.CC(C)(C)c1cc(=O)c2ccccc2[nH]1.CC(C)(C)c1nc2ccccc2c(=O)[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.

What is the InChIKey of 2-tert-butyl-5-(7-tert-butyl-1,3-benzodioxol-4-yl)-1H-imidazole;4-tert-butyl-7-(2-tert-butyl-1H-imidazol-5-yl)-1,2-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-4,4-dimethyl-1H-quinazoline;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3H-quinazolin-4-one;2-tert-butyl-1H-quinolin-4-one;tetrakis(2,2-dimethylpropane)?

The InChIKey is BVJYSKCBWALAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2.C20H25N3.C18H23N3O.C18H24N2O2.C14H20N2.C13H15NO.C12H14N2O.C11H14N2O2S.4C5H12/c1-20(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;1-17(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)22-10-21-14)13-9-19-16(20-13)18(4,5)6;1-13(2,3)12-15-11-9-7-6-8-10(11)14(4,5)16-12;1-13(2,3)12-8-11(15)9-6-4-5-7-10(9)14-12;1-12(2,3)11-13-9-7-5-4-6-8(9)10(15)14-11;1-11(2,3)10-12-8-6-4-5-7-9(8)16(14,15)13-10;4*1-5(2,3)4/h7-13H,1-6H3,(H,22,23);7-12H,1-6H3,(H,22,23);7-10H,1-6H3,(H,19,21);7-9H,10H2,1-6H3,(H,19,20);6-9H,1-5H3,(H,15,16);4-8H,1-3H3,(H,14,15);4-7H,1-3H3,(H,13,14,15);4-7H,1-3H3,(H,12,13);4*1-4H3.

What are the key properties of 2-tert-butyl-5-(7-tert-butyl-1,3-benzodioxol-4-yl)-1H-imidazole;4-tert-butyl-7-(2-tert-butyl-1H-imidazol-5-yl)-1,2-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-4,4-dimethyl-1H-quinazoline;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3H-quinazolin-4-one;2-tert-butyl-1H-quinolin-4-one;tetrakis(2,2-dimethylpropane)?

2-tert-butyl-5-(7-tert-butyl-1,3-benzodioxol-4-yl)-1H-imidazole;4-tert-butyl-7-(2-tert-butyl-1H-imidazol-5-yl)-1,2-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-4,4-dimethyl-1H-quinazoline;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3H-quinazolin-4-one;2-tert-butyl-1H-quinolin-4-one;tetrakis(2,2-dimethylpropane) has a molecular weight of 2358.47 g/mol, XLogP of 39.55, 4 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;4-tert-butyl-7-(2-tert-butyl-1H-imidazol-5-yl)-1,2-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-4,4-dimethyl-1H-quinazoline;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3H-quinazolin-4-one;2-tert-butyl-1H-quinolin-4-one;tetrakis(2,2-dimethylpropane) is sourced from PubChem (CID 157474221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).