5-(4-tert-butylcyclohexyl)-2-propan-2-yl-1H-imidazole;5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-2-propan-2-yl-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-tert-butyl-7-(2-propan-2-yl-1H-imidazol-5-yl)-1,2-benzoxazole;7-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole;1-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)piperidine;5-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-propan-2-yl-1H-imidazole;4-(5-tert-butylthiophen-2-yl)-2-propan-2-yl-3H-pyrrole
C132H191N19O2S — CID 159047190
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC5-(4-tert-butylcyclohexyl)-2-propan-2-yl-1H-imidazole;5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-2-propan-2-yl-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-tert-butyl-7-(2-propan-2-yl-1H-imidazol-5-yl)-1,2-benzoxazole;7-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole;1-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)piperidine;5-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-propan-2-yl-1H-imidazole;4-(5-tert-butylthiophen-2-yl)-2-propan-2-yl-3H-pyrrole
SMILESCC(C)C1=NC=C(c2ccc(C(C)(C)C)s2)C1.CC(C)c1cnc2nc(C(C)(C)C)[nH]c2c1.CC(C)c1ncc(-c2ccc(C(C)(C)C)c3c2CCC3)[nH]1.CC(C)c1ncc(-c2ccc(C(C)(C)C)c3c2CCCC3)[nH]1.CC(C)c1ncc(-c2ccc(C(C)(C)C)c3cnoc23)[nH]1.CC(C)c1ncc(-c2ccc(C(C)(C)C)c3ocnc23)[nH]1.CC(C)c1ncc(C2CCC(C(C)(C)C)CC2)[nH]1.CC(C)c1ncc(C2CCN(C(C)(C)C)CC2)[nH]1
InChIInChI=1S/C20H28N2.C19H26N2.2C17H21N3O.C16H28N2.C15H27N3.C15H21NS.C13H19N3/c1-13(2)19-21-12-18(22-19)16-10-11-17(20(3,4)5)15-9-7-6-8-14(15)16;1-12(2)18-20-11-17(21-18)15-9-10-16(19(3,4)5)14-8-6-7-13(14)15;1-10(2)16-18-9-14(20-16)11-6-7-13(17(3,4)5)12-8-19-21-15(11)12;1-10(2)16-18-8-13(20-16)11-6-7-12(17(3,4)5)15-14(11)19-9-21-15;1-11(2)15-17-10-14(18-15)12-6-8-13(9-7-12)16(3,4)5;1-11(2)14-16-10-13(17-14)12-6-8-18(9-7-12)15(3,4)5;1-10(2)12-8-11(9-16-12)13-6-7-14(17-13)15(3,4)5;1-8(2)9-6-10-11(14-7-9)16-12(15-10)13(3,4)5/h10-13H,6-9H2,1-5H3,(H,21,22);9-12H,6-8H2,1-5H3,(H,20,21);2*6-10H,1-5H3,(H,18,20);10-13H,6-9H2,1-5H3,(H,17,18);10-12H,6-9H2,1-5H3,(H,16,17);6-7,9-10H,8H2,1-5H3;6-8H,1-5H3,(H,14,15,16)
InChIKeyJWUOABFMGLWTPP-UHFFFAOYSA-N
MW2108.18 g/mol
LogP36.27
Rot. Bonds15
About 5-(4-tert-butylcyclohexyl)-2-propan-2-yl-1H-imidazole;5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-2-propan-2-yl-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-tert-butyl-7-(2-propan-2-yl-1H-imidazol-5-yl)-1,2-benzoxazole;7-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole;1-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)piperidine;5-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-propan-2-yl-1H-imidazole;4-(5-tert-butylthiophen-2-yl)-2-propan-2-yl-3H-pyrrole
5-(4-tert-butylcyclohexyl)-2-propan-2-yl-1H-imidazole;5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-2-propan-2-yl-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-tert-butyl-7-(2-propan-2-yl-1H-imidazol-5-yl)-1,2-benzoxazole;7-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole;1-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)piperidine;5-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-propan-2-yl-1H-imidazole;4-(5-tert-butylthiophen-2-yl)-2-propan-2-yl-3H-pyrrole (PubChem CID 159047190) has the molecular formula C132H191N19O2S and a molecular weight of 2108.18 g/mol. Its IUPAC name is 5-(4-tert-butylcyclohexyl)-2-propan-2-yl-1H-imidazole;5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-2-propan-2-yl-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-tert-butyl-7-(2-propan-2-yl-1H-imidazol-5-yl)-1,2-benzoxazole;7-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole;1-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)piperidine;5-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-propan-2-yl-1H-imidazole;4-(5-tert-butylthiophen-2-yl)-2-propan-2-yl-3H-pyrrole.
Molecular Properties
| Compound Name | 5-(4-tert-butylcyclohexyl)-2-propan-2-yl-1H-imidazole;5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-2-propan-2-yl-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-tert-butyl-7-(2-propan-2-yl-1H-imidazol-5-yl)-1,2-benzoxazole;7-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole;1-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)piperidine;5-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-propan-2-yl-1H-imidazole;4-(5-tert-butylthiophen-2-yl)-2-propan-2-yl-3H-pyrrole |
|---|---|
| PubChem CID | 159047190 |
| Molecular Formula | C132H191N19O2S |
| Molecular Weight | 2108.18 g/mol |
| Exact Mass | 2106.51 |
| IUPAC Name | 5-(4-tert-butylcyclohexyl)-2-propan-2-yl-1H-imidazole;5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-2-propan-2-yl-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-tert-butyl-7-(2-propan-2-yl-1H-imidazol-5-yl)-1,2-benzoxazole;7-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole;1-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)piperidine;5-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-propan-2-yl-1H-imidazole;4-(5-tert-butylthiophen-2-yl)-2-propan-2-yl-3H-pyrrole |
| SMILES | CC(C)C1=NC=C(c2ccc(C(C)(C)C)s2)C1.CC(C)c1cnc2nc(C(C)(C)C)[nH]c2c1.CC(C)c1ncc(-c2ccc(C(C)(C)C)c3c2CCC3)[nH]1.CC(C)c1ncc(-c2ccc(C(C)(C)C)c3c2CCCC3)[nH]1.CC(C)c1ncc(-c2ccc(C(C)(C)C)c3cnoc23)[nH]1.CC(C)c1ncc(-c2ccc(C(C)(C)C)c3ocnc23)[nH]1.CC(C)c1ncc(C2CCC(C(C)(C)C)CC2)[nH]1.CC(C)c1ncc(C2CCN(C(C)(C)C)CC2)[nH]1 |
| InChI | InChI=1S/C20H28N2.C19H26N2.2C17H21N3O.C16H28N2.C15H27N3.C15H21NS.C13H19N3/c1-13(2)19-21-12-18(22-19)16-10-11-17(20(3,4)5)15-9-7-6-8-14(15)16;1-12(2)18-20-11-17(21-18)15-9-10-16(19(3,4)5)14-8-6-7-13(14)15;1-10(2)16-18-9-14(20-16)11-6-7-13(17(3,4)5)12-8-19-21-15(11)12;1-10(2)16-18-8-13(20-16)11-6-7-12(17(3,4)5)15-14(11)19-9-21-15;1-11(2)15-17-10-14(18-15)12-6-8-13(9-7-12)16(3,4)5;1-11(2)14-16-10-13(17-14)12-6-8-18(9-7-12)15(3,4)5;1-10(2)12-8-11(9-16-12)13-6-7-14(17-13)15(3,4)5;1-8(2)9-6-10-11(14-7-9)16-12(15-10)13(3,4)5/h10-13H,6-9H2,1-5H3,(H,21,22);9-12H,6-8H2,1-5H3,(H,20,21);2*6-10H,1-5H3,(H,18,20);10-13H,6-9H2,1-5H3,(H,17,18);10-12H,6-9H2,1-5H3,(H,16,17);6-7,9-10H,8H2,1-5H3;6-8H,1-5H3,(H,14,15,16) |
| InChIKey | JWUOABFMGLWTPP-UHFFFAOYSA-N |
| XLogP | 36.27 |
| TPSA | 281.31 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 154 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2108.18 |
| LogP ≤ 5 | 36.27 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 15 |
Frequently Asked Questions
What is the IUPAC name of 5-(4-tert-butylcyclohexyl)-2-propan-2-yl-1H-imidazole;5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-2-propan-2-yl-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-tert-butyl-7-(2-propan-2-yl-1H-imidazol-5-yl)-1,2-benzoxazole;7-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole;1-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)piperidine;5-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-propan-2-yl-1H-imidazole;4-(5-tert-butylthiophen-2-yl)-2-propan-2-yl-3H-pyrrole?
The IUPAC name of 5-(4-tert-butylcyclohexyl)-2-propan-2-yl-1H-imidazole;5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-2-propan-2-yl-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-tert-butyl-7-(2-propan-2-yl-1H-imidazol-5-yl)-1,2-benzoxazole;7-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole;1-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)piperidine;5-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-propan-2-yl-1H-imidazole;4-(5-tert-butylthiophen-2-yl)-2-propan-2-yl-3H-pyrrole (CID 159047190) is 5-(4-tert-butylcyclohexyl)-2-propan-2-yl-1H-imidazole;5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-2-propan-2-yl-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-tert-butyl-7-(2-propan-2-yl-1H-imidazol-5-yl)-1,2-benzoxazole;7-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole;1-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)piperidine;5-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-propan-2-yl-1H-imidazole;4-(5-tert-butylthiophen-2-yl)-2-propan-2-yl-3H-pyrrole.
What is the SMILES notation for 5-(4-tert-butylcyclohexyl)-2-propan-2-yl-1H-imidazole;5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-2-propan-2-yl-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-tert-butyl-7-(2-propan-2-yl-1H-imidazol-5-yl)-1,2-benzoxazole;7-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole;1-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)piperidine;5-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-propan-2-yl-1H-imidazole;4-(5-tert-butylthiophen-2-yl)-2-propan-2-yl-3H-pyrrole?
The canonical SMILES for 5-(4-tert-butylcyclohexyl)-2-propan-2-yl-1H-imidazole;5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-2-propan-2-yl-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-tert-butyl-7-(2-propan-2-yl-1H-imidazol-5-yl)-1,2-benzoxazole;7-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole;1-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)piperidine;5-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-propan-2-yl-1H-imidazole;4-(5-tert-butylthiophen-2-yl)-2-propan-2-yl-3H-pyrrole is CC(C)C1=NC=C(c2ccc(C(C)(C)C)s2)C1.CC(C)c1cnc2nc(C(C)(C)C)[nH]c2c1.CC(C)c1ncc(-c2ccc(C(C)(C)C)c3c2CCC3)[nH]1.CC(C)c1ncc(-c2ccc(C(C)(C)C)c3c2CCCC3)[nH]1.CC(C)c1ncc(-c2ccc(C(C)(C)C)c3cnoc23)[nH]1.CC(C)c1ncc(-c2ccc(C(C)(C)C)c3ocnc23)[nH]1.CC(C)c1ncc(C2CCC(C(C)(C)C)CC2)[nH]1.CC(C)c1ncc(C2CCN(C(C)(C)C)CC2)[nH]1.
What is the InChIKey of 5-(4-tert-butylcyclohexyl)-2-propan-2-yl-1H-imidazole;5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-2-propan-2-yl-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-tert-butyl-7-(2-propan-2-yl-1H-imidazol-5-yl)-1,2-benzoxazole;7-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole;1-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)piperidine;5-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-propan-2-yl-1H-imidazole;4-(5-tert-butylthiophen-2-yl)-2-propan-2-yl-3H-pyrrole?
The InChIKey is JWUOABFMGLWTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2.C19H26N2.2C17H21N3O.C16H28N2.C15H27N3.C15H21NS.C13H19N3/c1-13(2)19-21-12-18(22-19)16-10-11-17(20(3,4)5)15-9-7-6-8-14(15)16;1-12(2)18-20-11-17(21-18)15-9-10-16(19(3,4)5)14-8-6-7-13(14)15;1-10(2)16-18-9-14(20-16)11-6-7-13(17(3,4)5)12-8-19-21-15(11)12;1-10(2)16-18-8-13(20-16)11-6-7-12(17(3,4)5)15-14(11)19-9-21-15;1-11(2)15-17-10-14(18-15)12-6-8-13(9-7-12)16(3,4)5;1-11(2)14-16-10-13(17-14)12-6-8-18(9-7-12)15(3,4)5;1-10(2)12-8-11(9-16-12)13-6-7-14(17-13)15(3,4)5;1-8(2)9-6-10-11(14-7-9)16-12(15-10)13(3,4)5/h10-13H,6-9H2,1-5H3,(H,21,22);9-12H,6-8H2,1-5H3,(H,20,21);2*6-10H,1-5H3,(H,18,20);10-13H,6-9H2,1-5H3,(H,17,18);10-12H,6-9H2,1-5H3,(H,16,17);6-7,9-10H,8H2,1-5H3;6-8H,1-5H3,(H,14,15,16).
What are the key properties of 5-(4-tert-butylcyclohexyl)-2-propan-2-yl-1H-imidazole;5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-2-propan-2-yl-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-tert-butyl-7-(2-propan-2-yl-1H-imidazol-5-yl)-1,2-benzoxazole;7-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole;1-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)piperidine;5-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-propan-2-yl-1H-imidazole;4-(5-tert-butylthiophen-2-yl)-2-propan-2-yl-3H-pyrrole?
5-(4-tert-butylcyclohexyl)-2-propan-2-yl-1H-imidazole;5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-2-propan-2-yl-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-tert-butyl-7-(2-propan-2-yl-1H-imidazol-5-yl)-1,2-benzoxazole;7-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole;1-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)piperidine;5-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-propan-2-yl-1H-imidazole;4-(5-tert-butylthiophen-2-yl)-2-propan-2-yl-3H-pyrrole has a molecular weight of 2108.18 g/mol, XLogP of 36.27, 15 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylcyclohexyl)-2-propan-2-yl-1H-imidazole;5-(7-tert-butyl-2,3-dihydro-1H-inden-4-yl)-2-propan-2-yl-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-imidazo[4,5-b]pyridine;4-tert-butyl-7-(2-propan-2-yl-1H-imidazol-5-yl)-1,2-benzoxazole;7-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)-1,3-benzoxazole;1-tert-butyl-4-(2-propan-2-yl-1H-imidazol-5-yl)piperidine;5-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-propan-2-yl-1H-imidazole;4-(5-tert-butylthiophen-2-yl)-2-propan-2-yl-3H-pyrrole is sourced from PubChem (CID 159047190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
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