2-tert-butyl-5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;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;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3H-quinazolin-4-one;bis(2,2-dimethylpropane)

C92H129N11O4S — CID 159971601

About 2-tert-butyl-5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;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;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3H-quinazolin-4-one;bis(2,2-dimethylpropane)

2-tert-butyl-5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;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;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3H-quinazolin-4-one;bis(2,2-dimethylpropane) (PubChem CID 159971601) has the molecular formula C92H129N11O4S and a molecular weight of 1485.18 g/mol. Its IUPAC name is 2-tert-butyl-5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;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;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3H-quinazolin-4-one;bis(2,2-dimethylpropane).

Molecular Properties

• Compound Name: 2-tert-butyl-5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;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;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3H-quinazolin-4-one;bis(2,2-dimethylpropane)
• PubChem CID: 159971601
• Molecular Formula: C92H129N11O4S
• Molecular Weight: 1485.18 g/mol
• Exact Mass: 1483.99
• IUPAC Name: 2-tert-butyl-5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;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;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3H-quinazolin-4-one;bis(2,2-dimethylpropane)
• SMILES: CC(C)(C)C.CC(C)(C)C.CC(C)(C)C1=NS(=O)(=O)c2ccccc2N1.CC(C)(C)c1nc2ccccc2c(=O)[nH]1.CC(C)(C)c1ncc(-c2ccc(C(C)(C)C)c3c2CCC3)[nH]1.CC(C)(C)c1ncc(-c2ccc(C(C)(C)C)c3ccccc23)[nH]1.CC(C)(C)c1ncc(-c2ccc(C(C)(C)C)c3ocnc23)[nH]1
• InChI: InChI=1S/C21H26N2.C20H28N2.C18H23N3O.C12H14N2O.C11H14N2O2S.2C5H12/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)16-11-10-15(13-8-7-9-14(13)16)17-12-21-18(22-17)20(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;1-12(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;2*1-5(2,3)4/h7-13H,1-6H3,(H,22,23);10-12H,7-9H2,1-6H3,(H,21,22);7-10H,1-6H3,(H,19,21);4-7H,1-3H3,(H,13,14,15);4-7H,1-3H3,(H,12,13);2*1-4H3
• InChIKey: OEPQIIPHHUAXTL-UHFFFAOYSA-N
• XLogP: 24.37
• TPSA: 216.35 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1485.18
LogP ≤ 5	24.37
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;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;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3H-quinazolin-4-one;bis(2,2-dimethylpropane)?

The IUPAC name of 2-tert-butyl-5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;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;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3H-quinazolin-4-one;bis(2,2-dimethylpropane) (CID 159971601) is 2-tert-butyl-5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;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;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3H-quinazolin-4-one;bis(2,2-dimethylpropane).

What is the SMILES notation for 2-tert-butyl-5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;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;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3H-quinazolin-4-one;bis(2,2-dimethylpropane)?

The canonical SMILES for 2-tert-butyl-5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;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;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3H-quinazolin-4-one;bis(2,2-dimethylpropane) is CC(C)(C)C.CC(C)(C)C.CC(C)(C)C1=NS(=O)(=O)c2ccccc2N1.CC(C)(C)c1nc2ccccc2c(=O)[nH]1.CC(C)(C)c1ncc(-c2ccc(C(C)(C)C)c3c2CCC3)[nH]1.CC(C)(C)c1ncc(-c2ccc(C(C)(C)C)c3ccccc23)[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-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;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;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3H-quinazolin-4-one;bis(2,2-dimethylpropane)?

The InChIKey is OEPQIIPHHUAXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2.C20H28N2.C18H23N3O.C12H14N2O.C11H14N2O2S.2C5H12/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)16-11-10-15(13-8-7-9-14(13)16)17-12-21-18(22-17)20(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;1-12(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;2*1-5(2,3)4/h7-13H,1-6H3,(H,22,23);10-12H,7-9H2,1-6H3,(H,21,22);7-10H,1-6H3,(H,19,21);4-7H,1-3H3,(H,13,14,15);4-7H,1-3H3,(H,12,13);2*1-4H3.

What are the key properties of 2-tert-butyl-5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;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;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3H-quinazolin-4-one;bis(2,2-dimethylpropane)?

2-tert-butyl-5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;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;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3H-quinazolin-4-one;bis(2,2-dimethylpropane) has a molecular weight of 1485.18 g/mol, XLogP of 24.37, 3 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-1H-imidazole;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;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3H-quinazolin-4-one;bis(2,2-dimethylpropane) is sourced from PubChem (CID 159971601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).