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;5-(4-tert-butylcyclohexyl)-2-propan-2-yl-1H-imidazole;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3H-quinazolin-4-one;2,2-dimethylpropane;ethane

C144H204N18O5S — CID 159997842

About 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;5-(4-tert-butylcyclohexyl)-2-propan-2-yl-1H-imidazole;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3H-quinazolin-4-one;2,2-dimethylpropane;ethane

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;5-(4-tert-butylcyclohexyl)-2-propan-2-yl-1H-imidazole;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3H-quinazolin-4-one;2,2-dimethylpropane;ethane (PubChem CID 159997842) has the molecular formula C144H204N18O5S and a molecular weight of 2299.40 g/mol. Its IUPAC name is 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;5-(4-tert-butylcyclohexyl)-2-propan-2-yl-1H-imidazole;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3H-quinazolin-4-one;2,2-dimethylpropane;ethane.

Molecular Properties

• Compound Name: 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;5-(4-tert-butylcyclohexyl)-2-propan-2-yl-1H-imidazole;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3H-quinazolin-4-one;2,2-dimethylpropane;ethane
• PubChem CID: 159997842
• Molecular Formula: C144H204N18O5S
• Molecular Weight: 2299.40 g/mol
• Exact Mass: 2297.60
• IUPAC Name: 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;5-(4-tert-butylcyclohexyl)-2-propan-2-yl-1H-imidazole;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3H-quinazolin-4-one;2,2-dimethylpropane;ethane
• SMILES: CC.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)c3c2CCCC3)[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.CC(C)c1ncc(C2CCC(C(C)(C)C)CC2)[nH]1
• InChI: InChI=1S/C21H30N2.C21H26N2.C20H28N2.2C18H23N3O.C16H28N2.C12H14N2O.C11H14N2O2S.C5H12.C2H6/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;1-11(2)15-17-10-14(18-15)12-6-8-13(9-7-12)16(3,4)5;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;1-5(2,3)4;1-2/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);10-13H,6-9H2,1-5H3,(H,17,18);4-7H,1-3H3,(H,13,14,15);4-7H,1-3H3,(H,12,13);1-4H3;1-2H3
• InChIKey: OHTTZQLKBFURKG-UHFFFAOYSA-N
• XLogP: 38.56
• TPSA: 328.42 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2299.40
LogP ≤ 5	38.56
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	15

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;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;5-(4-tert-butylcyclohexyl)-2-propan-2-yl-1H-imidazole;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3H-quinazolin-4-one;2,2-dimethylpropane;ethane?

The IUPAC name of 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;5-(4-tert-butylcyclohexyl)-2-propan-2-yl-1H-imidazole;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3H-quinazolin-4-one;2,2-dimethylpropane;ethane (CID 159997842) is 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;5-(4-tert-butylcyclohexyl)-2-propan-2-yl-1H-imidazole;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3H-quinazolin-4-one;2,2-dimethylpropane;ethane.

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

The canonical SMILES for 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;5-(4-tert-butylcyclohexyl)-2-propan-2-yl-1H-imidazole;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3H-quinazolin-4-one;2,2-dimethylpropane;ethane is CC.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)c3c2CCCC3)[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.CC(C)c1ncc(C2CCC(C(C)(C)C)CC2)[nH]1.

What is the InChIKey of 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;5-(4-tert-butylcyclohexyl)-2-propan-2-yl-1H-imidazole;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3H-quinazolin-4-one;2,2-dimethylpropane;ethane?

The InChIKey is OHTTZQLKBFURKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2.C21H26N2.C20H28N2.2C18H23N3O.C16H28N2.C12H14N2O.C11H14N2O2S.C5H12.C2H6/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;1-11(2)15-17-10-14(18-15)12-6-8-13(9-7-12)16(3,4)5;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;1-5(2,3)4;1-2/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);10-13H,6-9H2,1-5H3,(H,17,18);4-7H,1-3H3,(H,13,14,15);4-7H,1-3H3,(H,12,13);1-4H3;1-2H3.

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

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;5-(4-tert-butylcyclohexyl)-2-propan-2-yl-1H-imidazole;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3H-quinazolin-4-one;2,2-dimethylpropane;ethane has a molecular weight of 2299.40 g/mol, XLogP of 38.56, 7 rotatable bonds, 8 hydrogen bond donors, and 15 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;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;5-(4-tert-butylcyclohexyl)-2-propan-2-yl-1H-imidazole;3-tert-butyl-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide;2-tert-butyl-3H-quinazolin-4-one;2,2-dimethylpropane;ethane is sourced from PubChem (CID 159997842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).