4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-5,6-dimethyl-1H-indazole;5-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;6-tert-butyl-1H-isoindole;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;5-tert-butyl-2-methyl-1,3-benzoxazole;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline
C226H288Cl2F2N24O9S — CID 158512126
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-5,6-dimethyl-1H-indazole;5-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;6-tert-butyl-1H-isoindole;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;5-tert-butyl-2-methyl-1,3-benzoxazole;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline
SMILESCC(C)(C)c1c(Cl)ccc2cn[nH]c12.CC(C)(C)c1c[nH]c2ccccc12.CC(C)(C)c1cc(Cl)cc2cn[nH]c12.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(c1)CN=C2.CC(C)(C)c1cccc2[nH]cnc12.CC(C)(C)c1cccc2c1CC(=O)N2.CC(C)(C)c1cccc2c1CCC(=O)N2.CC(C)(C)c1cccc2c1CCCN2.CC(C)(C)c1cccc2c1OC(F)(F)O2.CC(C)(C)c1cccc2c1OCCO2.CC(C)(C)c1cccc2cn[nH]c12.CC(C)(C)c1csc2ccccc12.CC1=NCc2cc(C(C)(C)C)ccc21.COc1ccc2[nH]ncc2c1C(C)(C)C.Cc1cc2cn[nH]c2c(C(C)(C)C)c1C.Cc1ccc2cn[nH]c2c1C(C)(C)C.Cc1nc2cc(C(C)(C)C)ccc2o1.Cc1noc2cccc(C(C)(C)C)c12
InChIInChI=1S/C13H18N2.C13H17NO.C13H17N.C13H19N.C12H16N2O.C12H16N2.3C12H15NO.2C12H15N.C12H16O2.C12H14S.2C11H13ClN2.C11H12F2O2.3C11H14N2/c1-8-6-10-7-14-15-12(10)11(9(8)2)13(3,4)5;1-13(2,3)10-5-4-6-11-9(10)7-8-12(15)14-11;1-9-12-6-5-11(13(2,3)4)7-10(12)8-14-9;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-12(2,3)11-8-7-13-14-9(8)5-6-10(11)15-4;1-8-5-6-9-7-13-14-11(9)10(8)12(2,3)4;1-8-13-10-7-9(12(2,3)4)5-6-11(10)14-8;1-8-11-9(12(2,3)4)6-5-7-10(11)14-13-8;1-12(2,3)9-5-4-6-10-8(9)7-11(14)13-10;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-12(2,3)9-5-4-6-10-11(9)14-8-7-13-10;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-11(2,3)9-5-8(12)4-7-6-13-14-10(7)9;1-11(2,3)9-8(12)5-4-7-6-13-14-10(7)9;1-10(2,3)7-5-4-6-8-9(7)15-11(12,13)14-8;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-11(2,3)9-6-4-5-8-7-12-13-10(8)9/h6-7H,1-5H3,(H,14,15);4-6H,7-8H2,1-3H3,(H,14,15);5-7H,8H2,1-4H3;4,7-8,14H,5-6,9H2,1-3H3;5-7H,1-4H3,(H,13,14);5-7H,1-4H3,(H,13,14);2*5-7H,1-4H3;4-6H,7H2,1-3H3,(H,13,14);4-7H,8H2,1-3H3;4-8,13H,1-3H3;4-6H,7-8H2,1-3H3;4-8H,1-3H3;2*4-6H,1-3H3,(H,13,14);4-6H,1-3H3;3*4-7H,1-3H3,(H,12,13)
InChIKeyHLEQAFWIROXRFW-UHFFFAOYSA-N
MW3625.92 g/mol
LogP60.63
Rot. Bonds1
About 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-5,6-dimethyl-1H-indazole;5-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;6-tert-butyl-1H-isoindole;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;5-tert-butyl-2-methyl-1,3-benzoxazole;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-5,6-dimethyl-1H-indazole;5-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;6-tert-butyl-1H-isoindole;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;5-tert-butyl-2-methyl-1,3-benzoxazole;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline (PubChem CID 158512126) has the molecular formula C226H288Cl2F2N24O9S and a molecular weight of 3625.92 g/mol. Its IUPAC name is 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-5,6-dimethyl-1H-indazole;5-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;6-tert-butyl-1H-isoindole;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;5-tert-butyl-2-methyl-1,3-benzoxazole;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline.
Molecular Properties
| Compound Name | 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-5,6-dimethyl-1H-indazole;5-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;6-tert-butyl-1H-isoindole;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;5-tert-butyl-2-methyl-1,3-benzoxazole;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline |
|---|---|
| PubChem CID | 158512126 |
| Molecular Formula | C226H288Cl2F2N24O9S |
| Molecular Weight | 3625.92 g/mol |
| Exact Mass | 3622.19 |
| IUPAC Name | 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-5,6-dimethyl-1H-indazole;5-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;6-tert-butyl-1H-isoindole;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;5-tert-butyl-2-methyl-1,3-benzoxazole;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline |
| SMILES | CC(C)(C)c1c(Cl)ccc2cn[nH]c12.CC(C)(C)c1c[nH]c2ccccc12.CC(C)(C)c1cc(Cl)cc2cn[nH]c12.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(c1)CN=C2.CC(C)(C)c1cccc2[nH]cnc12.CC(C)(C)c1cccc2c1CC(=O)N2.CC(C)(C)c1cccc2c1CCC(=O)N2.CC(C)(C)c1cccc2c1CCCN2.CC(C)(C)c1cccc2c1OC(F)(F)O2.CC(C)(C)c1cccc2c1OCCO2.CC(C)(C)c1cccc2cn[nH]c12.CC(C)(C)c1csc2ccccc12.CC1=NCc2cc(C(C)(C)C)ccc21.COc1ccc2[nH]ncc2c1C(C)(C)C.Cc1cc2cn[nH]c2c(C(C)(C)C)c1C.Cc1ccc2cn[nH]c2c1C(C)(C)C.Cc1nc2cc(C(C)(C)C)ccc2o1.Cc1noc2cccc(C(C)(C)C)c12 |
| InChI | InChI=1S/C13H18N2.C13H17NO.C13H17N.C13H19N.C12H16N2O.C12H16N2.3C12H15NO.2C12H15N.C12H16O2.C12H14S.2C11H13ClN2.C11H12F2O2.3C11H14N2/c1-8-6-10-7-14-15-12(10)11(9(8)2)13(3,4)5;1-13(2,3)10-5-4-6-11-9(10)7-8-12(15)14-11;1-9-12-6-5-11(13(2,3)4)7-10(12)8-14-9;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-12(2,3)11-8-7-13-14-9(8)5-6-10(11)15-4;1-8-5-6-9-7-13-14-11(9)10(8)12(2,3)4;1-8-13-10-7-9(12(2,3)4)5-6-11(10)14-8;1-8-11-9(12(2,3)4)6-5-7-10(11)14-13-8;1-12(2,3)9-5-4-6-10-8(9)7-11(14)13-10;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-12(2,3)9-5-4-6-10-11(9)14-8-7-13-10;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-11(2,3)9-5-8(12)4-7-6-13-14-10(7)9;1-11(2,3)9-8(12)5-4-7-6-13-14-10(7)9;1-10(2,3)7-5-4-6-8-9(7)15-11(12,13)14-8;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-11(2,3)9-6-4-5-8-7-12-13-10(8)9/h6-7H,1-5H3,(H,14,15);4-6H,7-8H2,1-3H3,(H,14,15);5-7H,8H2,1-4H3;4,7-8,14H,5-6,9H2,1-3H3;5-7H,1-4H3,(H,13,14);5-7H,1-4H3,(H,13,14);2*5-7H,1-4H3;4-6H,7H2,1-3H3,(H,13,14);4-7H,8H2,1-3H3;4-8,13H,1-3H3;4-6H,7-8H2,1-3H3;4-8H,1-3H3;2*4-6H,1-3H3,(H,13,14);4-6H,1-3H3;3*4-7H,1-3H3,(H,12,13) |
| InChIKey | HLEQAFWIROXRFW-UHFFFAOYSA-N |
| XLogP | 60.63 |
| TPSA | 438.39 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 264 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3625.92 |
| LogP ≤ 5 | 60.63 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 23 |
Frequently Asked Questions
What is the IUPAC name of 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-5,6-dimethyl-1H-indazole;5-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;6-tert-butyl-1H-isoindole;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;5-tert-butyl-2-methyl-1,3-benzoxazole;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-5,6-dimethyl-1H-indazole;5-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;6-tert-butyl-1H-isoindole;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;5-tert-butyl-2-methyl-1,3-benzoxazole;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline (CID 158512126) is 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-5,6-dimethyl-1H-indazole;5-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;6-tert-butyl-1H-isoindole;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;5-tert-butyl-2-methyl-1,3-benzoxazole;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-5,6-dimethyl-1H-indazole;5-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;6-tert-butyl-1H-isoindole;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;5-tert-butyl-2-methyl-1,3-benzoxazole;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-5,6-dimethyl-1H-indazole;5-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;6-tert-butyl-1H-isoindole;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;5-tert-butyl-2-methyl-1,3-benzoxazole;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline is CC(C)(C)c1c(Cl)ccc2cn[nH]c12.CC(C)(C)c1c[nH]c2ccccc12.CC(C)(C)c1cc(Cl)cc2cn[nH]c12.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(c1)CN=C2.CC(C)(C)c1cccc2[nH]cnc12.CC(C)(C)c1cccc2c1CC(=O)N2.CC(C)(C)c1cccc2c1CCC(=O)N2.CC(C)(C)c1cccc2c1CCCN2.CC(C)(C)c1cccc2c1OC(F)(F)O2.CC(C)(C)c1cccc2c1OCCO2.CC(C)(C)c1cccc2cn[nH]c12.CC(C)(C)c1csc2ccccc12.CC1=NCc2cc(C(C)(C)C)ccc21.COc1ccc2[nH]ncc2c1C(C)(C)C.Cc1cc2cn[nH]c2c(C(C)(C)C)c1C.Cc1ccc2cn[nH]c2c1C(C)(C)C.Cc1nc2cc(C(C)(C)C)ccc2o1.Cc1noc2cccc(C(C)(C)C)c12.
What is the InChIKey of 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-5,6-dimethyl-1H-indazole;5-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;6-tert-butyl-1H-isoindole;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;5-tert-butyl-2-methyl-1,3-benzoxazole;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is HLEQAFWIROXRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2.C13H17NO.C13H17N.C13H19N.C12H16N2O.C12H16N2.3C12H15NO.2C12H15N.C12H16O2.C12H14S.2C11H13ClN2.C11H12F2O2.3C11H14N2/c1-8-6-10-7-14-15-12(10)11(9(8)2)13(3,4)5;1-13(2,3)10-5-4-6-11-9(10)7-8-12(15)14-11;1-9-12-6-5-11(13(2,3)4)7-10(12)8-14-9;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-12(2,3)11-8-7-13-14-9(8)5-6-10(11)15-4;1-8-5-6-9-7-13-14-11(9)10(8)12(2,3)4;1-8-13-10-7-9(12(2,3)4)5-6-11(10)14-8;1-8-11-9(12(2,3)4)6-5-7-10(11)14-13-8;1-12(2,3)9-5-4-6-10-8(9)7-11(14)13-10;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-12(2,3)9-5-4-6-10-11(9)14-8-7-13-10;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-11(2,3)9-5-8(12)4-7-6-13-14-10(7)9;1-11(2,3)9-8(12)5-4-7-6-13-14-10(7)9;1-10(2,3)7-5-4-6-8-9(7)15-11(12,13)14-8;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-11(2,3)9-6-4-5-8-7-12-13-10(8)9/h6-7H,1-5H3,(H,14,15);4-6H,7-8H2,1-3H3,(H,14,15);5-7H,8H2,1-4H3;4,7-8,14H,5-6,9H2,1-3H3;5-7H,1-4H3,(H,13,14);5-7H,1-4H3,(H,13,14);2*5-7H,1-4H3;4-6H,7H2,1-3H3,(H,13,14);4-7H,8H2,1-3H3;4-8,13H,1-3H3;4-6H,7-8H2,1-3H3;4-8H,1-3H3;2*4-6H,1-3H3,(H,13,14);4-6H,1-3H3;3*4-7H,1-3H3,(H,12,13).
What are the key properties of 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-5,6-dimethyl-1H-indazole;5-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;6-tert-butyl-1H-isoindole;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;5-tert-butyl-2-methyl-1,3-benzoxazole;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline?
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-5,6-dimethyl-1H-indazole;5-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;6-tert-butyl-1H-isoindole;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;5-tert-butyl-2-methyl-1,3-benzoxazole;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 3625.92 g/mol, XLogP of 60.63, 1 rotatable bonds, 12 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;7-tert-butyl-5-chloro-1H-indazole;7-tert-butyl-6-chloro-1H-indazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-5,6-dimethyl-1H-indazole;5-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;3-tert-butyl-1H-indole;6-tert-butyl-1H-isoindole;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;5-tert-butyl-2-methyl-1,3-benzoxazole;7-tert-butyl-6-methyl-1H-indazole;6-tert-butyl-3-methyl-1H-isoindole;5-tert-butyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 158512126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158512126 — identifiers, structure, computed properties (public domain)
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