6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;3-tert-butylisoquinoline;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-2-phenyl-1H-benzimidazole;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole

C128H158ClF4N11O — CID 157117170

IUPAC6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;3-tert-butylisoquinoline;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-2-phenyl-1H-benzimidazole;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole
SMILESCC(C)(C)c1cc2[nH]ccc2cc1C(=O)N1CCCCC1.CC(C)(C)c1cc2[nH]ccc2cc1C(F)(F)F.CC(C)(C)c1cc2[nH]ccc2cc1Cl.CC(C)(C)c1cc2[nH]ccc2cc1F.CC(C)(C)c1cc2cc[nH]c2cc1C(C)(C)C.CC(C)(C)c1cc2ccccc2cn1.CC(C)(C)c1ccc2nc(-c3ccccc3)[nH]c2c1.CCc1cc2cc[nH]c2cc1C(C)(C)C.Cc1c[nH]c2cccc(C(C)(C)C)c12
InChIInChI=1S/C18H24N2O.C17H18N2.C16H23N.C14H19N.C13H14F3N.C13H17N.C13H15N.C12H14ClN.C12H14FN/c1-18(2,3)15-12-16-13(7-8-19-16)11-14(15)17(21)20-9-5-4-6-10-20;1-17(2,3)13-9-10-14-15(11-13)19-16(18-14)12-7-5-4-6-8-12;1-15(2,3)12-9-11-7-8-17-14(11)10-13(12)16(4,5)6;1-5-10-8-11-6-7-15-13(11)9-12(10)14(2,3)4;1-12(2,3)9-7-11-8(4-5-17-11)6-10(9)13(14,15)16;1-9-8-14-11-7-5-6-10(12(9)11)13(2,3)4;1-13(2,3)12-8-10-6-4-5-7-11(10)9-14-12;2*1-12(2,3)9-7-11-8(4-5-14-11)6-10(9)13/h7-8,11-12,19H,4-6,9-10H2,1-3H3;4-11H,1-3H3,(H,18,19);7-10,17H,1-6H3;6-9,15H,5H2,1-4H3;4-7,17H,1-3H3;5-8,14H,1-4H3;4-9H,1-3H3;2*4-7,14H,1-3H3
InChIKeyAHNSMEFJFYSSGF-UHFFFAOYSA-N
MW1978.19 g/mol
LogP36.92
Rot. Bonds3

About 6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;3-tert-butylisoquinoline;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-2-phenyl-1H-benzimidazole;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole

6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;3-tert-butylisoquinoline;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-2-phenyl-1H-benzimidazole;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole (PubChem CID 157117170) has the molecular formula C128H158ClF4N11O and a molecular weight of 1978.19 g/mol. Its IUPAC name is 6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;3-tert-butylisoquinoline;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-2-phenyl-1H-benzimidazole;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole.

Molecular Properties

Compound Name6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;3-tert-butylisoquinoline;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-2-phenyl-1H-benzimidazole;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole
PubChem CID157117170
Molecular FormulaC128H158ClF4N11O
Molecular Weight1978.19 g/mol
Exact Mass1976.23
IUPAC Name6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;3-tert-butylisoquinoline;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-2-phenyl-1H-benzimidazole;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole
SMILESCC(C)(C)c1cc2[nH]ccc2cc1C(=O)N1CCCCC1.CC(C)(C)c1cc2[nH]ccc2cc1C(F)(F)F.CC(C)(C)c1cc2[nH]ccc2cc1Cl.CC(C)(C)c1cc2[nH]ccc2cc1F.CC(C)(C)c1cc2cc[nH]c2cc1C(C)(C)C.CC(C)(C)c1cc2ccccc2cn1.CC(C)(C)c1ccc2nc(-c3ccccc3)[nH]c2c1.CCc1cc2cc[nH]c2cc1C(C)(C)C.Cc1c[nH]c2cccc(C(C)(C)C)c12
InChIInChI=1S/C18H24N2O.C17H18N2.C16H23N.C14H19N.C13H14F3N.C13H17N.C13H15N.C12H14ClN.C12H14FN/c1-18(2,3)15-12-16-13(7-8-19-16)11-14(15)17(21)20-9-5-4-6-10-20;1-17(2,3)13-9-10-14-15(11-13)19-16(18-14)12-7-5-4-6-8-12;1-15(2,3)12-9-11-7-8-17-14(11)10-13(12)16(4,5)6;1-5-10-8-11-6-7-15-13(11)9-12(10)14(2,3)4;1-12(2,3)9-7-11-8(4-5-17-11)6-10(9)13(14,15)16;1-9-8-14-11-7-5-6-10(12(9)11)13(2,3)4;1-13(2,3)12-8-10-6-4-5-7-11(10)9-14-12;2*1-12(2,3)9-7-11-8(4-5-14-11)6-10(9)13/h7-8,11-12,19H,4-6,9-10H2,1-3H3;4-11H,1-3H3,(H,18,19);7-10,17H,1-6H3;6-9,15H,5H2,1-4H3;4-7,17H,1-3H3;5-8,14H,1-4H3;4-9H,1-3H3;2*4-7,14H,1-3H3
InChIKeyAHNSMEFJFYSSGF-UHFFFAOYSA-N
XLogP36.92
TPSA172.41 Ų
H-Bond Donors8
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001978.19
LogP ≤ 536.92
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 103

Analyze 6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;3-tert-butylisoquinoline;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-2-phenyl-1H-benzimidazole;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole with MolForge

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Launch Full Analysis

Related Compounds

N-[9-(2-chloro-5-fluorophenyl)-5-(1H-imidazo[4,5-b]pyridin-6-yl)-11-oxo-1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-7-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 171578080
N-[9-(2-chloro-5-fluorophenyl)-5-(7-chloro-1H-imidazo[4,5-b]pyridin-6-yl)-11-oxo-1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-7-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 171578109
N-[3-[4-(2-chloro-6-fluorophenyl)-11-oxo-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-15-yl]-2-pyridinyl]-2,2-dimethylpropanamide
CID 24889408
4-(2-Chloro-6-fluorophenyl)-15-[6-(dimethylamino)-3-pyridinyl]-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one
CID 68713095
4-(2-Chloro-6-fluorophenyl)-15-quinolin-3-yl-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one
CID 68714861
4-(2-Chloro-6-fluorophenyl)-15-(6-methyl-3-pyridinyl)-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one
CID 68716970
4-(2-Chloro-6-fluorophenyl)-15-isoquinolin-4-yl-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one
CID 68716986
2-[[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]amino]-N-methyl-3H-benzimidazole-5-carboxamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,5-dimethyl-1H-benzimidazol-2-amine
CID 90742655
(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylisoindol-2-yl)pentan-2-one;3-[2-[(2R)-5-[6-(aminomethyl)-1H-indol-3-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-1-[[2-(5-chloroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-(5,6-dimethylbenzimidazol-1-yl)butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-7-methyl-4-oxo-5-[3-(trifluoromethyl)pyrazol-1-yl]octan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157158955
N-[3-[2-[1-[[[(2S)-1-amino-1-oxopropan-2-yl]amino]methyl]-3H-isoindol-5-yl]ethyl]phenyl]-3-(5-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethanamine;3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)pyrazin-2-amine;N-[2-(1H-indol-3-ylmethyl)-3H-benzimidazol-5-yl]pyrrolidine-2-carboxamide;methane;(phosphanylidene-lambda4-sulfanylidene)phosphane
CID 157732062
3,3-dimethyl-4-[3-(6-methyl-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]-1-pyridin-3-ylindol-2-one;methane;N-(4-methylphenyl)-5-(2'-oxo-1'-pyrimidin-2-ylspiro[cyclobutane-1,3'-indole]-4'-yl)-2-(trifluoromethyl)benzamide
CID 158120418
6-tert-butyl-5-chloro-1H-indole;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-N-(2-methylpropyl)-1H-indole-5-carboxamide;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole
CID 159291767

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;3-tert-butylisoquinoline;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-2-phenyl-1H-benzimidazole;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole?
The IUPAC name of 6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;3-tert-butylisoquinoline;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-2-phenyl-1H-benzimidazole;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole (CID 157117170) is 6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;3-tert-butylisoquinoline;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-2-phenyl-1H-benzimidazole;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole.
What is the SMILES notation for 6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;3-tert-butylisoquinoline;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-2-phenyl-1H-benzimidazole;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole?
The canonical SMILES for 6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;3-tert-butylisoquinoline;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-2-phenyl-1H-benzimidazole;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole is CC(C)(C)c1cc2[nH]ccc2cc1C(=O)N1CCCCC1.CC(C)(C)c1cc2[nH]ccc2cc1C(F)(F)F.CC(C)(C)c1cc2[nH]ccc2cc1Cl.CC(C)(C)c1cc2[nH]ccc2cc1F.CC(C)(C)c1cc2cc[nH]c2cc1C(C)(C)C.CC(C)(C)c1cc2ccccc2cn1.CC(C)(C)c1ccc2nc(-c3ccccc3)[nH]c2c1.CCc1cc2cc[nH]c2cc1C(C)(C)C.Cc1c[nH]c2cccc(C(C)(C)C)c12.
What is the InChIKey of 6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;3-tert-butylisoquinoline;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-2-phenyl-1H-benzimidazole;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole?
The InChIKey is AHNSMEFJFYSSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O.C17H18N2.C16H23N.C14H19N.C13H14F3N.C13H17N.C13H15N.C12H14ClN.C12H14FN/c1-18(2,3)15-12-16-13(7-8-19-16)11-14(15)17(21)20-9-5-4-6-10-20;1-17(2,3)13-9-10-14-15(11-13)19-16(18-14)12-7-5-4-6-8-12;1-15(2,3)12-9-11-7-8-17-14(11)10-13(12)16(4,5)6;1-5-10-8-11-6-7-15-13(11)9-12(10)14(2,3)4;1-12(2,3)9-7-11-8(4-5-17-11)6-10(9)13(14,15)16;1-9-8-14-11-7-5-6-10(12(9)11)13(2,3)4;1-13(2,3)12-8-10-6-4-5-7-11(10)9-14-12;2*1-12(2,3)9-7-11-8(4-5-14-11)6-10(9)13/h7-8,11-12,19H,4-6,9-10H2,1-3H3;4-11H,1-3H3,(H,18,19);7-10,17H,1-6H3;6-9,15H,5H2,1-4H3;4-7,17H,1-3H3;5-8,14H,1-4H3;4-9H,1-3H3;2*4-7,14H,1-3H3.
What are the key properties of 6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;3-tert-butylisoquinoline;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-2-phenyl-1H-benzimidazole;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole?
6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;3-tert-butylisoquinoline;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-2-phenyl-1H-benzimidazole;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole has a molecular weight of 1978.19 g/mol, XLogP of 36.92, 3 rotatable bonds, 8 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-chloro-1H-indole;6-tert-butyl-5-ethyl-1H-indole;6-tert-butyl-5-fluoro-1H-indole;(6-tert-butyl-1H-indol-5-yl)-piperidin-1-ylmethanone;3-tert-butylisoquinoline;4-tert-butyl-3-methyl-1H-indole;6-tert-butyl-2-phenyl-1H-benzimidazole;6-tert-butyl-5-(trifluoromethyl)-1H-indole;5,6-ditert-butyl-1H-indole is sourced from PubChem (CID 157117170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).