4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzofuran;3-tert-butyl-1-benzothiophene;3-tert-butyl-2H-chromene;2-tert-butyl-2,3-dihydro-1H-indene;3-tert-butyl-1,2-dihydroquinoline;3-tert-butyl-1H-indene;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;1-tert-butylisoquinoline;3-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;8-tert-butylisoquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butylquinoline;3-tert-butylquinoline;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline

C321H381N19O2S — CID 158626604

IUPAC4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzofuran;3-tert-butyl-1-benzothiophene;3-tert-butyl-2H-chromene;2-tert-butyl-2,3-dihydro-1H-indene;3-tert-butyl-1,2-dihydroquinoline;3-tert-butyl-1H-indene;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;1-tert-butylisoquinoline;3-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;8-tert-butylisoquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butylquinoline;3-tert-butylquinoline;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline
SMILESCC(C)(C)C1=CCc2ccccc21.CC(C)(C)C1=Cc2ccccc2NC1.CC(C)(C)C1=Cc2ccccc2OC1.CC(C)(C)C1Cc2ccccc2C1.CC(C)(C)c1c[nH]c2ccccc12.CC(C)(C)c1cc2ccccc2[nH]1.CC(C)(C)c1cc2ccccc2cn1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2ccccc2n1.CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2ccncc2c1.CC(C)(C)c1ccc2cnccc2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1cccc2[nH]cnc12.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1cccc2ccncc12.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1cncc2ccccc12.CC(C)(C)c1coc2ccccc12.CC(C)(C)c1csc2ccccc12.CC(C)(C)c1nccc2ccccc12
InChIInChI=1S/2C14H16.8C13H15N.C13H17N.6C13H15N.C13H16O.C13H18.C13H16.2C12H15N.C12H14O.C12H14S.C11H14N2/c1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-13(2,3)12-5-4-10-6-7-14-9-11(10)8-12;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-13(2,3)12-6-4-5-10-7-8-14-9-11(10)12;2*1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-13(2,3)12-9-14-8-10-6-4-5-7-11(10)12;1-13(2,3)12-8-10-6-4-5-7-11(10)9-14-12;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-13(2,3)12-8-10-6-4-5-7-11(10)9-12;1-13(2,3)12-9-8-10-6-4-5-7-11(10)12;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;2*1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9/h2*4-10H,1-3H3;8*4-9H,1-3H3;4-8,14H,9H2,1-3H3;6*4-9H,1-3H3;4-8H,9H2,1-3H3;4-7,12H,8-9H2,1-3H3;4-7,9H,8H2,1-3H3;2*4-8,13H,1-3H3;2*4-8H,1-3H3;4-7H,1-3H3,(H,12,13)
InChIKeyHYRALYVGKVDLNA-UHFFFAOYSA-N
MW4569.78 g/mol
LogP89.62
Rot. Bonds

About 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzofuran;3-tert-butyl-1-benzothiophene;3-tert-butyl-2H-chromene;2-tert-butyl-2,3-dihydro-1H-indene;3-tert-butyl-1,2-dihydroquinoline;3-tert-butyl-1H-indene;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;1-tert-butylisoquinoline;3-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;8-tert-butylisoquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butylquinoline;3-tert-butylquinoline;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline

4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzofuran;3-tert-butyl-1-benzothiophene;3-tert-butyl-2H-chromene;2-tert-butyl-2,3-dihydro-1H-indene;3-tert-butyl-1,2-dihydroquinoline;3-tert-butyl-1H-indene;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;1-tert-butylisoquinoline;3-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;8-tert-butylisoquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butylquinoline;3-tert-butylquinoline;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline (PubChem CID 158626604) has the molecular formula C321H381N19O2S and a molecular weight of 4569.78 g/mol. Its IUPAC name is 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzofuran;3-tert-butyl-1-benzothiophene;3-tert-butyl-2H-chromene;2-tert-butyl-2,3-dihydro-1H-indene;3-tert-butyl-1,2-dihydroquinoline;3-tert-butyl-1H-indene;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;1-tert-butylisoquinoline;3-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;8-tert-butylisoquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butylquinoline;3-tert-butylquinoline;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline.

Molecular Properties

Compound Name4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzofuran;3-tert-butyl-1-benzothiophene;3-tert-butyl-2H-chromene;2-tert-butyl-2,3-dihydro-1H-indene;3-tert-butyl-1,2-dihydroquinoline;3-tert-butyl-1H-indene;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;1-tert-butylisoquinoline;3-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;8-tert-butylisoquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butylquinoline;3-tert-butylquinoline;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline
PubChem CID158626604
Molecular FormulaC321H381N19O2S
Molecular Weight4569.78 g/mol
Exact Mass4566.00
IUPAC Name4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzofuran;3-tert-butyl-1-benzothiophene;3-tert-butyl-2H-chromene;2-tert-butyl-2,3-dihydro-1H-indene;3-tert-butyl-1,2-dihydroquinoline;3-tert-butyl-1H-indene;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;1-tert-butylisoquinoline;3-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;8-tert-butylisoquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butylquinoline;3-tert-butylquinoline;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline
SMILESCC(C)(C)C1=CCc2ccccc21.CC(C)(C)C1=Cc2ccccc2NC1.CC(C)(C)C1=Cc2ccccc2OC1.CC(C)(C)C1Cc2ccccc2C1.CC(C)(C)c1c[nH]c2ccccc12.CC(C)(C)c1cc2ccccc2[nH]1.CC(C)(C)c1cc2ccccc2cn1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2ccccc2n1.CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2ccncc2c1.CC(C)(C)c1ccc2cnccc2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1cccc2[nH]cnc12.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1cccc2ccncc12.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1cncc2ccccc12.CC(C)(C)c1coc2ccccc12.CC(C)(C)c1csc2ccccc12.CC(C)(C)c1nccc2ccccc12
InChIInChI=1S/2C14H16.8C13H15N.C13H17N.6C13H15N.C13H16O.C13H18.C13H16.2C12H15N.C12H14O.C12H14S.C11H14N2/c1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-13(2,3)12-5-4-10-6-7-14-9-11(10)8-12;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-13(2,3)12-6-4-5-10-7-8-14-9-11(10)12;2*1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-13(2,3)12-9-14-8-10-6-4-5-7-11(10)12;1-13(2,3)12-8-10-6-4-5-7-11(10)9-14-12;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-13(2,3)12-8-10-6-4-5-7-11(10)9-12;1-13(2,3)12-9-8-10-6-4-5-7-11(10)12;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;2*1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9/h2*4-10H,1-3H3;8*4-9H,1-3H3;4-8,14H,9H2,1-3H3;6*4-9H,1-3H3;4-8H,9H2,1-3H3;4-7,12H,8-9H2,1-3H3;4-7,9H,8H2,1-3H3;2*4-8,13H,1-3H3;2*4-8H,1-3H3;4-7H,1-3H3,(H,12,13)
InChIKeyHYRALYVGKVDLNA-UHFFFAOYSA-N
XLogP89.62
TPSA275.12 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds
Heavy Atoms343
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004569.78
LogP ≤ 589.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Analyze 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzofuran;3-tert-butyl-1-benzothiophene;3-tert-butyl-2H-chromene;2-tert-butyl-2,3-dihydro-1H-indene;3-tert-butyl-1,2-dihydroquinoline;3-tert-butyl-1H-indene;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;1-tert-butylisoquinoline;3-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;8-tert-butylisoquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butylquinoline;3-tert-butylquinoline;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline with MolForge

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Launch Full Analysis

Related Compounds

6-tert-butyl-1H-benzimidazole;5-tert-butyl-2-benzothiophene;6-tert-butylcinnoline;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butyl-4-fluorofuran;1-tert-butyl-2-fluoro-3-(trifluoromethoxy)benzene;2-tert-butylfuran;5-tert-butyl-1H-indazole;5-tert-butyl-2H-isoindole;1-tert-butyl-4-methoxybenzene;2-tert-butylnaphthalene;7-tert-butylquinoline;6-tert-butylquinoxaline;2-tert-butylthiophene
CID 157050189
tert-butylbenzene;bis(6-tert-butyl-1H-benzimidazole);1-tert-butylcyclopenta-1,3-diene;bis(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-1,1-difluorocyclohexane;bis(2-tert-butylfuran);3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylnaphthalene;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;3-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;6-tert-butylquinoline;2-tert-butylthiophene;2-methylpropane;piperidine
CID 157716365
6-(1-tert-butylcyclopropyl)-1H-benzimidazole;6-(1-tert-butylcyclopropyl)cinnoline;5-(1-tert-butylcyclopropyl)-1H-indazole;(1-tert-butylcyclopropyl)methylbenzene;2-[(1-tert-butylcyclopropyl)methyl]-5-fluoropyridine;2-[(1-tert-butylcyclopropyl)methyl]furan;4-[(1-tert-butylcyclopropyl)methyl]pyridazine;2-[(1-tert-butylcyclopropyl)methyl]pyridine;3-[(1-tert-butylcyclopropyl)methyl]pyridine;4-[(1-tert-butylcyclopropyl)methyl]pyridine;6-[(1-tert-butylcyclopropyl)methyl]quinoline;6-[(1-tert-butylcyclopropyl)methyl]quinoxaline;2-[(1-tert-butylcyclopropyl)methyl]thiophene;2-[(1-tert-butylcyclopropyl)methyl]-5-(trifluoromethyl)pyridine;7-(1-tert-butylcyclopropyl)quinoline;6-(1-tert-butylcyclopropyl)quinoxaline
CID 158836849
6-(1-tert-butylcyclopropyl)-1H-benzimidazole;6-(1-tert-butylcyclopropyl)cinnoline;3-(1-tert-butylcyclopropyl)-5-fluoropyridine;5-(1-tert-butylcyclopropyl)-1H-indazole;(1-tert-butylcyclopropyl)methylbenzene;7-[(1-tert-butylcyclopropyl)methyl]cinnoline;2-[(1-tert-butylcyclopropyl)methyl]-5-fluoropyridine;2-[(1-tert-butylcyclopropyl)methyl]furan;6-[(1-tert-butylcyclopropyl)methyl]-1-methylbenzimidazole;4-[(1-tert-butylcyclopropyl)methyl]pyridazine;2-[(1-tert-butylcyclopropyl)methyl]pyridine;3-[(1-tert-butylcyclopropyl)methyl]pyridine;4-[(1-tert-butylcyclopropyl)methyl]pyridine;6-[(1-tert-butylcyclopropyl)methyl]quinoline;bis(6-[(1-tert-butylcyclopropyl)methyl]quinoxaline);2-[(1-tert-butylcyclopropyl)methyl]thiophene;2-[(1-tert-butylcyclopropyl)methyl]-5-(trifluoromethyl)pyridine;7-(1-tert-butylcyclopropyl)quinoline;6-(1-tert-butylcyclopropyl)quinoxaline
CID 160786197
6-tert-butyl-1H-benzimidazole;5-tert-butyl-2-benzothiophene;6-tert-butylcinnoline;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butyl-4-fluorofuran;1-tert-butyl-3-fluoro-5-methoxybenzene;1-tert-butyl-2-fluoro-3-(trifluoromethoxy)benzene;2-tert-butylfuran;5-tert-butyl-1H-indazole;5-tert-butyl-2H-isoindole;1-tert-butyl-4-methoxybenzene;2-tert-butylnaphthalene;7-tert-butylquinoline;6-tert-butylquinoxaline;2-tert-butylthiophene
CID 161420728
bis(6-tert-butyl-1H-benzimidazole);1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-1,1-difluorocyclohexane;bis(2-tert-butylfuran);3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylnaphthalene;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;6-tert-butylquinoline;2-tert-butylthiophene;2-methylpropane;piperidine
CID 161428508
12-Dibenzothiophen-4-yl-23-thia-10-azahexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene;20-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-18-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;17-methyl-20-(9-phenylcarbazol-3-yl)-10-thia-15,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;15-methyl-20-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-10-thia-18-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 161901264
CID 161956079
CID 161956079
1-butoxy-4-tert-butylbenzene;2-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;2-tert-butyl-1-benzofuran;2-tert-butyl-1-benzothiophene;6-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-4-ethoxybenzene;2-tert-butyl-1H-indole;1-tert-butyl-4-methoxybenzene;2-tert-butyl-6-methoxynaphthalene;2-tert-butyl-1-methylindole;5-tert-butyl-1-methylindole;1-tert-butyl-4-(2-methylpropyl)benzene;2-tert-butylnaphthalene;2-tert-butyl-3-propan-2-yl-1H-indole;3-tert-butylquinoline;2-tert-butyl-6-(trifluoromethyl)-1H-benzimidazole;2,6-ditert-butyl-1H-benzimidazole
CID 162206945
tert-butylbenzene;1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-1,1-difluorocyclohexane;bis(2-tert-butylfuran);3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylnaphthalene;1-tert-butylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;6-tert-butylquinoline;2-tert-butylthiophene
CID 165007738
bis(6-tert-butyl-1H-benzimidazole);1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-1,1-difluorocyclohexane;bis(2-tert-butylfuran);3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylnaphthalene;1-tert-butylpiperidine;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;6-tert-butylquinoline;2-tert-butylthiophene
CID 165068091
2-(5-tert-butyl-2-methylbenzimidazol-1-yl)-N,N-dimethylethanamine;N,N-dimethyl-2-(6-propan-2-yl-1-benzofuran-3-yl)ethanamine;N,N-dimethyl-2-(6-propan-2-yl-1-benzothiophen-3-yl)ethanamine;N,N-dimethyl-1-(7-propan-2-yl-1,3-dihydro-2-benzothiophen-4-yl)piperidin-4-amine;N,N-dimethyl-1-(4-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-7-yl)piperidin-4-amine;N,N-dimethyl-2-(5-propan-2-ylimidazo[4,5-b]pyridin-1-yl)ethanamine;N,N-dimethyl-2-(5-propan-2-ylindol-1-yl)ethanamine;N,N-dimethyl-2-(5-propan-2-ylpyrrolo[3,2-b]pyridin-1-yl)ethanamine;N,N-dimethyl-2-[5-propan-2-yl-2-(trifluoromethyl)benzimidazol-1-yl]ethanamine
CID 167592122

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzofuran;3-tert-butyl-1-benzothiophene;3-tert-butyl-2H-chromene;2-tert-butyl-2,3-dihydro-1H-indene;3-tert-butyl-1,2-dihydroquinoline;3-tert-butyl-1H-indene;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;1-tert-butylisoquinoline;3-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;8-tert-butylisoquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butylquinoline;3-tert-butylquinoline;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline?
The IUPAC name of 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzofuran;3-tert-butyl-1-benzothiophene;3-tert-butyl-2H-chromene;2-tert-butyl-2,3-dihydro-1H-indene;3-tert-butyl-1,2-dihydroquinoline;3-tert-butyl-1H-indene;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;1-tert-butylisoquinoline;3-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;8-tert-butylisoquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butylquinoline;3-tert-butylquinoline;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline (CID 158626604) is 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzofuran;3-tert-butyl-1-benzothiophene;3-tert-butyl-2H-chromene;2-tert-butyl-2,3-dihydro-1H-indene;3-tert-butyl-1,2-dihydroquinoline;3-tert-butyl-1H-indene;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;1-tert-butylisoquinoline;3-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;8-tert-butylisoquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butylquinoline;3-tert-butylquinoline;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline.
What is the SMILES notation for 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzofuran;3-tert-butyl-1-benzothiophene;3-tert-butyl-2H-chromene;2-tert-butyl-2,3-dihydro-1H-indene;3-tert-butyl-1,2-dihydroquinoline;3-tert-butyl-1H-indene;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;1-tert-butylisoquinoline;3-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;8-tert-butylisoquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butylquinoline;3-tert-butylquinoline;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline?
The canonical SMILES for 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzofuran;3-tert-butyl-1-benzothiophene;3-tert-butyl-2H-chromene;2-tert-butyl-2,3-dihydro-1H-indene;3-tert-butyl-1,2-dihydroquinoline;3-tert-butyl-1H-indene;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;1-tert-butylisoquinoline;3-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;8-tert-butylisoquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butylquinoline;3-tert-butylquinoline;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline is CC(C)(C)C1=CCc2ccccc21.CC(C)(C)C1=Cc2ccccc2NC1.CC(C)(C)C1=Cc2ccccc2OC1.CC(C)(C)C1Cc2ccccc2C1.CC(C)(C)c1c[nH]c2ccccc12.CC(C)(C)c1cc2ccccc2[nH]1.CC(C)(C)c1cc2ccccc2cn1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2ccccc2n1.CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2ccncc2c1.CC(C)(C)c1ccc2cnccc2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1cccc2[nH]cnc12.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1cccc2ccncc12.CC(C)(C)c1cccc2cnccc12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1cncc2ccccc12.CC(C)(C)c1coc2ccccc12.CC(C)(C)c1csc2ccccc12.CC(C)(C)c1nccc2ccccc12.
What is the InChIKey of 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzofuran;3-tert-butyl-1-benzothiophene;3-tert-butyl-2H-chromene;2-tert-butyl-2,3-dihydro-1H-indene;3-tert-butyl-1,2-dihydroquinoline;3-tert-butyl-1H-indene;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;1-tert-butylisoquinoline;3-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;8-tert-butylisoquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butylquinoline;3-tert-butylquinoline;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline?
The InChIKey is HYRALYVGKVDLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H16.8C13H15N.C13H17N.6C13H15N.C13H16O.C13H18.C13H16.2C12H15N.C12H14O.C12H14S.C11H14N2/c1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-13(2,3)12-5-4-10-6-7-14-9-11(10)8-12;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-13(2,3)12-6-4-5-10-9-14-8-7-11(10)12;1-13(2,3)12-6-4-5-10-7-8-14-9-11(10)12;2*1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-13(2,3)12-9-14-8-10-6-4-5-7-11(10)12;1-13(2,3)12-8-10-6-4-5-7-11(10)9-14-12;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-13(2,3)12-8-10-6-4-5-7-11(10)9-12;1-13(2,3)12-9-8-10-6-4-5-7-11(10)12;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;2*1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9/h2*4-10H,1-3H3;8*4-9H,1-3H3;4-8,14H,9H2,1-3H3;6*4-9H,1-3H3;4-8H,9H2,1-3H3;4-7,12H,8-9H2,1-3H3;4-7,9H,8H2,1-3H3;2*4-8,13H,1-3H3;2*4-8H,1-3H3;4-7H,1-3H3,(H,12,13).
What are the key properties of 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzofuran;3-tert-butyl-1-benzothiophene;3-tert-butyl-2H-chromene;2-tert-butyl-2,3-dihydro-1H-indene;3-tert-butyl-1,2-dihydroquinoline;3-tert-butyl-1H-indene;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;1-tert-butylisoquinoline;3-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;8-tert-butylisoquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butylquinoline;3-tert-butylquinoline;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline?
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzofuran;3-tert-butyl-1-benzothiophene;3-tert-butyl-2H-chromene;2-tert-butyl-2,3-dihydro-1H-indene;3-tert-butyl-1,2-dihydroquinoline;3-tert-butyl-1H-indene;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;1-tert-butylisoquinoline;3-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;8-tert-butylisoquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butylquinoline;3-tert-butylquinoline;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline has a molecular weight of 4569.78 g/mol, XLogP of 89.62, 0 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzofuran;3-tert-butyl-1-benzothiophene;3-tert-butyl-2H-chromene;2-tert-butyl-2,3-dihydro-1H-indene;3-tert-butyl-1,2-dihydroquinoline;3-tert-butyl-1H-indene;2-tert-butyl-1H-indole;3-tert-butyl-1H-indole;1-tert-butylisoquinoline;3-tert-butylisoquinoline;4-tert-butylisoquinoline;5-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;8-tert-butylisoquinoline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;2-tert-butylquinoline;3-tert-butylquinoline;4-tert-butylquinoline;5-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;8-tert-butylquinoline is sourced from PubChem (CID 158626604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).